atm(m100,a1,o,o3,2.795,3.632,0.000,-0.243).
atm(m100,a2,c,car,2.069,2.496,0.000,0.244).
atm(m100,a3,c,car,2.616,1.192,0.000,-0.540).
atm(m100,a4,n,n4,4.076,0.975,0.000,1.333).
atm(m100,a5,o,oco2,4.801,1.968,0.000,-0.645).
atm(m100,a6,o,oco2,4.551,-0.138,0.000,-0.574).
atm(m100,a7,c,car,1.740,0.087,0.000,0.031).
atm(m100,a8,c,car,0.374,0.277,0.000,-0.174).
atm(m100,a9,c,car,-0.162,1.571,0.000,0.007).
atm(m100,a10,c,car,0.668,2.674,0.000,-0.184).
atm(m100,a11,h,h,3.735,3.421,0.000,0.259).
atm(m100,a12,h,h,2.146,-0.934,-0.001,0.128).
atm(m100,a13,h,h,-0.299,-0.588,-0.001,0.119).
atm(m100,a14,h,h,-1.249,1.706,0.000,0.106).
atm(m100,a15,h,h,0.251,3.689,0.000,0.134).
bond(m100,a1,a2,1).
bond(m100,a1,a11,1).
bond(m100,a2,a3,ar).
bond(m100,a2,a10,ar).
bond(m100,a3,a4,1).
bond(m100,a3,a7,ar).
bond(m100,a4,a5,2).
bond(m100,a4,a6,1).
bond(m100,a7,a8,ar).
bond(m100,a7,a12,1).
bond(m100,a8,a9,ar).
bond(m100,a8,a13,1).
bond(m100,a9,a10,ar).
bond(m100,a9,a14,1).
bond(m100,a10,a15,1).
atm(m101,a1,o,o3,2.100,1.214,0.000,-0.230).
atm(m101,a2,c,car,2.699,2.413,-0.005,0.296).
atm(m101,a3,c,car,1.846,3.550,-0.030,-0.160).
atm(m101,a4,c,c3,0.343,3.407,-0.027,-0.024).
atm(m101,a5,c,c3,-0.164,3.543,1.404,-0.113).
atm(m101,a6,c,c3,-0.336,4.440,-0.931,-0.108).
atm(m101,a7,c,c3,-0.152,4.129,-2.399,-0.112).
atm(m101,a8,c,car,2.410,4.812,-0.025,0.061).
atm(m101,a9,c,car,3.806,4.992,0.001,-0.475).
atm(m101,a10,n,n4,4.375,6.378,0.008,1.319).
atm(m101,a11,o,oco2,5.580,6.524,0.027,-0.595).
atm(m101,a12,o,oco2,3.619,7.328,-0.007,-0.598).
atm(m101,a13,c,car,4.647,3.886,0.020,0.123).
atm(m101,a14,c,car,4.109,2.590,0.015,-0.563).
atm(m101,a15,n,n4,5.029,1.425,0.032,1.333).
atm(m101,a16,o,oco2,6.227,1.572,0.052,-0.557).
atm(m101,a17,o,oco2,4.524,0.305,0.024,-0.640).
atm(m101,a18,h,h,2.751,0.503,0.001,0.268).
atm(m101,a19,h,h,0.064,2.393,-0.409,0.088).
atm(m101,a20,h,h,0.312,2.810,2.069,0.046).
atm(m101,a21,h,h,0.040,4.542,1.812,0.043).
atm(m101,a22,h,h,-1.248,3.379,1.457,0.049).
atm(m101,a23,h,h,-1.417,4.479,-0.690,0.062).
atm(m101,a24,h,h,0.059,5.456,-0.701,0.056).
atm(m101,a25,h,h,-0.580,3.153,-2.665,0.043).
atm(m101,a26,h,h,-0.641,4.884,-3.028,0.045).
atm(m101,a27,h,h,0.910,4.107,-2.678,0.037).
atm(m101,a28,h,h,1.726,5.683,-0.056,0.149).
atm(m101,a29,h,h,5.743,4.024,0.038,0.157).
bond(m101,a1,a2,1).
bond(m101,a1,a18,1).
bond(m101,a2,a3,ar).
bond(m101,a2,a14,ar).
bond(m101,a3,a4,1).
bond(m101,a3,a8,ar).
bond(m101,a4,a5,1).
bond(m101,a4,a6,1).
bond(m101,a4,a19,1).
bond(m101,a5,a20,1).
bond(m101,a5,a21,1).
bond(m101,a5,a22,1).
bond(m101,a6,a7,1).
bond(m101,a6,a23,1).
bond(m101,a6,a24,1).
bond(m101,a7,a25,1).
bond(m101,a7,a26,1).
bond(m101,a7,a27,1).
bond(m101,a8,a9,ar).
bond(m101,a8,a28,1).
bond(m101,a9,a10,1).
bond(m101,a9,a13,ar).
bond(m101,a10,a11,2).
bond(m101,a10,a12,1).
bond(m101,a13,a14,ar).
bond(m101,a13,a29,1).
bond(m101,a14,a15,1).
bond(m101,a15,a16,2).
bond(m101,a15,a17,1).
atm(m102,a1,o,o2,4.899,0.000,0.000,-0.310).
atm(m102,a2,c,c2,4.293,1.047,0.000,0.337).
atm(m102,a3,c,car,2.818,1.157,0.000,-0.292).
atm(m102,a4,c,car,2.020,0.007,0.000,0.005).
atm(m102,a5,c,car,0.637,0.104,0.000,-0.162).
atm(m102,a6,c,car,0.021,1.355,0.000,-0.029).
atm(m102,a7,c,car,0.783,2.513,0.000,-0.165).
atm(m102,a8,c,car,2.184,2.414,0.000,0.152).
atm(m102,a9,o,o3,2.848,3.607,0.000,-0.226).
atm(m102,a10,h,h,4.854,2.002,0.000,0.028).
atm(m102,a11,h,h,2.501,-0.979,0.000,0.119).
atm(m102,a12,h,h,0.025,-0.804,0.000,0.112).
atm(m102,a13,h,h,-1.072,1.424,0.000,0.103).
atm(m102,a14,h,h,0.300,3.497,0.000,0.126).
atm(m102,a15,h,h,3.783,3.425,0.000,0.203).
bond(m102,a1,a2,2).
bond(m102,a2,a3,1).
bond(m102,a2,a10,1).
bond(m102,a3,a4,ar).
bond(m102,a3,a8,ar).
bond(m102,a4,a5,ar).
bond(m102,a4,a11,1).
bond(m102,a5,a6,ar).
bond(m102,a5,a12,1).
bond(m102,a6,a7,ar).
bond(m102,a6,a13,1).
bond(m102,a7,a8,ar).
bond(m102,a7,a14,1).
bond(m102,a8,a9,1).
bond(m102,a9,a15,1).
atm(m103,a1,o,o3,3.639,4.202,0.000,-0.227).
atm(m103,a2,c,car,3.600,2.835,0.001,0.123).
atm(m103,a3,c,car,4.742,2.059,0.002,-0.220).
atm(m103,a4,c,car,4.633,0.653,0.004,-0.056).
atm(m103,a5,c,car,3.407,0.047,0.003,-0.131).
atm(m103,a6,c,car,2.218,0.827,0.002,-0.008).
atm(m103,a7,c,car,0.942,0.203,0.001,-0.103).
atm(m103,a8,c,car,-0.199,0.959,0.000,-0.088).
atm(m103,a9,c,car,-0.119,2.369,-0.001,-0.117).
atm(m103,a10,c,car,1.098,2.997,-0.001,-0.062).
atm(m103,a11,c,car,2.297,2.236,0.001,-0.060).
atm(m103,a12,h,h,4.551,4.466,0.000,0.199).
atm(m103,a13,h,h,5.740,2.514,0.003,0.112).
atm(m103,a14,h,h,5.550,0.053,0.005,0.101).
atm(m103,a15,h,h,3.321,-1.045,0.004,0.108).
atm(m103,a16,h,h,0.889,-0.892,0.002,0.106).
atm(m103,a17,h,h,-1.184,0.480,0.000,0.102).
atm(m103,a18,h,h,-1.045,2.955,-0.002,0.104).
atm(m103,a19,h,h,1.152,4.092,-0.002,0.116).
bond(m103,a1,a2,1).
bond(m103,a1,a12,1).
bond(m103,a2,a3,ar).
bond(m103,a2,a11,ar).
bond(m103,a3,a4,ar).
bond(m103,a3,a13,1).
bond(m103,a4,a5,ar).
bond(m103,a4,a14,1).
bond(m103,a5,a6,ar).
bond(m103,a5,a15,1).
bond(m103,a6,a7,ar).
bond(m103,a6,a11,ar).
bond(m103,a7,a8,ar).
bond(m103,a7,a16,1).
bond(m103,a8,a9,ar).
bond(m103,a8,a17,1).
bond(m103,a9,a10,ar).
bond(m103,a9,a18,1).
bond(m103,a10,a11,ar).
bond(m103,a10,a19,1).
atm(m104,a1,o,o3,2.802,3.643,0.000,-0.232).
atm(m104,a2,c,car,2.090,2.502,0.242,0.117).
atm(m104,a3,c,car,2.678,1.258,0.536,-0.131).
atm(m104,a4,c,car,4.137,1.086,0.596,-0.037).
atm(m104,a5,c,car,4.915,1.245,-0.553,-0.107).
atm(m104,a6,c,car,6.293,1.066,-0.489,-0.099).
atm(m104,a7,c,car,6.899,0.729,0.717,-0.100).
atm(m104,a8,c,car,6.125,0.566,1.862,-0.099).
atm(m104,a9,c,car,4.747,0.741,1.804,-0.089).
atm(m104,a10,c,car,1.848,0.162,0.781,-0.050).
atm(m104,a11,c,car,0.467,0.296,0.727,-0.146).
atm(m104,a12,c,car,-0.106,1.531,0.431,-0.062).
atm(m104,a13,c,car,0.694,2.638,0.190,-0.148).
atm(m104,a14,h,h,3.727,3.426,0.047,0.206).
atm(m104,a15,h,h,4.438,1.497,-1.507,0.113).
atm(m104,a16,h,h,6.900,1.188,-1.392,0.105).
atm(m104,a17,h,h,7.984,0.590,0.764,0.105).
atm(m104,a18,h,h,6.602,0.298,2.810,0.105).
atm(m104,a19,h,h,4.135,0.607,2.703,0.112).
atm(m104,a20,h,h,2.298,-0.808,1.018,0.107).
atm(m104,a21,h,h,-0.172,-0.572,0.917,0.107).
atm(m104,a22,h,h,-1.196,1.630,0.390,0.102).
atm(m104,a23,h,h,0.245,3.611,-0.038,0.122).
bond(m104,a1,a2,1).
bond(m104,a1,a14,1).
bond(m104,a2,a3,ar).
bond(m104,a2,a13,ar).
bond(m104,a3,a4,1).
bond(m104,a3,a10,ar).
bond(m104,a4,a5,ar).
bond(m104,a4,a9,ar).
bond(m104,a5,a6,ar).
bond(m104,a5,a15,1).
bond(m104,a6,a7,ar).
bond(m104,a6,a16,1).
bond(m104,a7,a8,ar).
bond(m104,a7,a17,1).
bond(m104,a8,a9,ar).
bond(m104,a8,a18,1).
bond(m104,a9,a19,1).
bond(m104,a10,a11,ar).
bond(m104,a10,a20,1).
bond(m104,a11,a12,ar).
bond(m104,a11,a21,1).
bond(m104,a12,a13,ar).
bond(m104,a12,a22,1).
bond(m104,a13,a23,1).
atm(m105,a1,c,car,2.420,2.100,0.000,-0.199).
atm(m105,a2,c,c2,3.634,2.798,0.000,0.334).
atm(m105,a3,o,o2,3.634,4.194,0.000,-0.416).
atm(m105,a4,c,car,4.848,2.100,0.000,-0.199).
atm(m105,a5,c,car,4.848,0.698,0.000,0.134).
atm(m105,a6,o,o3,3.634,0.000,0.000,-0.117).
atm(m105,a7,c,car,2.420,0.698,0.000,0.134).
atm(m105,a8,c,car,1.214,0.000,0.000,-0.150).
atm(m105,a9,c,car,0.000,0.698,0.000,-0.026).
atm(m105,a10,c,car,0.000,2.100,0.000,-0.156).
atm(m105,a11,c,car,1.214,2.798,0.000,0.018).
atm(m105,a12,c,car,6.054,0.000,0.000,-0.150).
atm(m105,a13,c,car,7.268,0.698,0.000,-0.026).
atm(m105,a14,c,car,7.268,2.100,0.000,-0.156).
atm(m105,a15,c,car,6.054,2.798,0.000,0.018).
atm(m105,a16,h,h,1.215,-1.090,0.000,0.122).
atm(m105,a17,h,h,-0.943,0.152,0.000,0.107).
atm(m105,a18,h,h,-0.943,2.646,0.000,0.114).
atm(m105,a19,h,h,1.215,3.888,0.000,0.135).
atm(m105,a20,h,h,6.053,-1.090,0.000,0.122).
atm(m105,a21,h,h,8.211,0.152,0.000,0.107).
atm(m105,a22,h,h,8.211,2.646,0.000,0.114).
atm(m105,a23,h,h,6.053,3.888,0.000,0.135).
bond(m105,a1,a2,1).
bond(m105,a1,a7,ar).
bond(m105,a1,a11,ar).
bond(m105,a2,a3,2).
bond(m105,a2,a4,1).
bond(m105,a4,a5,ar).
bond(m105,a4,a15,ar).
bond(m105,a5,a6,1).
bond(m105,a5,a12,ar).
bond(m105,a6,a7,1).
bond(m105,a7,a8,ar).
bond(m105,a8,a9,ar).
bond(m105,a8,a16,1).
bond(m105,a9,a10,ar).
bond(m105,a9,a17,1).
bond(m105,a10,a11,ar).
bond(m105,a10,a18,1).
bond(m105,a11,a19,1).
bond(m105,a12,a13,ar).
bond(m105,a12,a20,1).
bond(m105,a13,a14,ar).
bond(m105,a13,a21,1).
bond(m105,a14,a15,ar).
bond(m105,a14,a22,1).
bond(m105,a15,a23,1).
atm(m106,a1,br,br,1.400,0.000,0.000,0.033).
atm(m106,a2,c,car,2.354,1.607,-0.008,-0.235).
atm(m106,a3,c,car,1.695,2.839,-0.008,0.186).
atm(m106,a4,o,o3,0.343,2.974,-0.004,-0.217).
atm(m106,a5,c,car,2.463,4.028,-0.014,-0.236).
atm(m106,a6,c,c2,1.809,5.363,-0.011,0.337).
atm(m106,a7,o,o2,2.434,6.398,-0.078,-0.317).
atm(m106,a8,c,car,3.857,3.928,-0.022,0.025).
atm(m106,a9,c,car,4.449,2.679,-0.021,-0.177).
atm(m106,a10,br,br,6.311,2.581,-0.030,0.027).
atm(m106,a11,c,car,3.732,1.498,-0.014,0.011).
atm(m106,a12,h,h,-0.059,2.114,0.004,0.216).
atm(m106,a13,h,h,0.710,5.394,0.057,0.067).
atm(m106,a14,h,h,4.484,4.830,-0.029,0.140).
atm(m106,a15,h,h,4.228,0.522,-0.014,0.139).
bond(m106,a1,a2,1).
bond(m106,a2,a3,ar).
bond(m106,a2,a11,ar).
bond(m106,a3,a4,1).
bond(m106,a3,a5,ar).
bond(m106,a4,a12,1).
bond(m106,a5,a6,1).
bond(m106,a5,a8,ar).
bond(m106,a6,a7,2).
bond(m106,a6,a13,1).
bond(m106,a8,a9,ar).
bond(m106,a8,a14,1).
bond(m106,a9,a10,1).
bond(m106,a9,a11,ar).
bond(m106,a11,a15,1).
atm(m107,a1,c,car,3.639,2.800,0.000,-0.088).
atm(m107,a2,c,car,4.822,2.111,0.000,-0.101).
atm(m107,a3,c,car,4.828,0.697,0.000,-0.101).
atm(m107,a4,c,car,3.651,-0.001,0.000,-0.088).
atm(m107,a5,c,car,2.409,0.689,0.000,-0.037).
atm(m107,a6,c,car,1.172,-0.012,0.000,-0.088).
atm(m107,a7,c,car,-0.010,0.677,0.000,-0.101).
atm(m107,a8,c,car,-0.016,2.092,0.000,-0.101).
atm(m107,a9,c,car,1.161,2.790,0.000,-0.088).
atm(m107,a10,c,car,2.403,2.099,0.000,-0.037).
atm(m107,a11,h,h,3.627,3.896,0.000,0.105).
atm(m107,a12,h,h,5.777,2.647,0.000,0.103).
atm(m107,a13,h,h,5.787,0.169,0.000,0.103).
atm(m107,a14,h,h,3.647,-1.097,0.000,0.105).
atm(m107,a15,h,h,1.185,-1.107,0.000,0.105).
atm(m107,a16,h,h,-0.965,0.142,0.000,0.103).
atm(m107,a17,h,h,-0.976,2.619,0.000,0.103).
atm(m107,a18,h,h,1.165,3.886,0.000,0.105).
bond(m107,a1,a2,ar).
bond(m107,a1,a10,ar).
bond(m107,a1,a11,1).
bond(m107,a2,a3,ar).
bond(m107,a2,a12,1).
bond(m107,a3,a4,ar).
bond(m107,a3,a13,1).
bond(m107,a4,a5,ar).
bond(m107,a4,a14,1).
bond(m107,a5,a6,ar).
bond(m107,a5,a10,ar).
bond(m107,a6,a7,ar).
bond(m107,a6,a15,1).
bond(m107,a7,a8,ar).
bond(m107,a7,a16,1).
bond(m107,a8,a9,ar).
bond(m107,a8,a17,1).
bond(m107,a9,a10,ar).
bond(m107,a9,a18,1).
atm(m108,a1,n,nar,3.639,0.000,0.000,-0.060).
atm(m108,a2,c,car,4.782,0.666,0.000,-0.053).
atm(m108,a3,c,car,4.835,2.089,-0.001,-0.154).
atm(m108,a4,c,car,3.671,2.805,-0.001,-0.051).
atm(m108,a5,c,car,2.425,2.113,-0.001,-0.080).
atm(m108,a6,c,car,2.435,0.702,0.000,-0.027).
atm(m108,a7,c,car,1.210,-0.018,0.000,-0.071).
atm(m108,a8,c,car,0.025,0.671,0.000,-0.097).
atm(m108,a9,c,car,0.011,2.085,-0.001,-0.099).
atm(m108,a10,c,car,1.182,2.796,-0.001,-0.082).
atm(m108,a11,h,h,5.697,0.061,0.000,0.116).
atm(m108,a12,h,h,5.810,2.587,-0.001,0.114).
atm(m108,a13,h,h,3.673,3.900,-0.001,0.108).
atm(m108,a14,h,h,1.226,-1.115,0.000,0.120).
atm(m108,a15,h,h,-0.928,0.132,0.000,0.105).
atm(m108,a16,h,h,-0.952,2.606,-0.001,0.104).
atm(m108,a17,h,h,1.178,3.891,-0.001,0.106).
bond(m108,a1,a2,ar).
bond(m108,a1,a6,ar).
bond(m108,a2,a3,ar).
bond(m108,a2,a11,1).
bond(m108,a3,a4,ar).
bond(m108,a3,a12,1).
bond(m108,a4,a5,ar).
bond(m108,a4,a13,1).
bond(m108,a5,a6,ar).
bond(m108,a5,a10,ar).
bond(m108,a6,a7,ar).
bond(m108,a7,a8,ar).
bond(m108,a7,a14,1).
bond(m108,a8,a9,ar).
bond(m108,a8,a15,1).
bond(m108,a9,a10,ar).
bond(m108,a9,a16,1).
bond(m108,a10,a17,1).
atm(m109,a1,c,c3,0.000,0.000,0.000,-0.123).
atm(m109,a2,c,c3,1.504,0.147,-0.102,-0.073).
atm(m109,a3,n,n3,1.998,1.545,0.086,-0.085).
atm(m109,a4,c,c3,1.195,2.617,-0.561,-0.085).
atm(m109,a5,c,c3,0.810,2.413,-2.015,-0.158).
atm(m109,a6,c,c3,3.480,1.615,-0.156,-0.053).
atm(m109,a7,c,c3,4.045,2.975,0.266,-0.104).
atm(m109,a8,c,c3,5.552,3.020,0.068,-0.093).
atm(m109,a9,c,c3,5.937,2.688,-1.365,-0.098).
atm(m109,a10,c,c3,5.386,1.331,-1.772,-0.087).
atm(m109,a11,c,c3,3.879,1.289,-1.603,-0.144).
atm(m109,a12,h,h,-0.404,0.447,0.917,0.051).
atm(m109,a13,h,h,-0.280,-1.061,0.001,0.040).
atm(m109,a14,h,h,-0.511,0.474,-0.856,0.047).
atm(m109,a15,h,h,1.993,-0.456,0.689,0.052).
atm(m109,a16,h,h,1.870,-0.262,-1.076,0.038).
atm(m109,a17,h,h,0.283,2.726,0.060,0.059).
atm(m109,a18,h,h,1.770,3.564,-0.451,0.065).
atm(m109,a19,h,h,0.157,1.532,-2.138,0.051).
atm(m109,a20,h,h,1.694,2.269,-2.658,0.051).
atm(m109,a21,h,h,0.262,3.284,-2.395,0.045).
atm(m109,a22,h,h,3.924,0.836,0.516,0.069).
atm(m109,a23,h,h,3.802,3.176,1.328,0.061).
atm(m109,a24,h,h,3.549,3.787,-0.313,0.057).
atm(m109,a25,h,h,6.043,2.309,0.762,0.050).
atm(m109,a26,h,h,5.935,4.022,0.341,0.048).
atm(m109,a27,h,h,7.038,2.701,-1.475,0.048).
atm(m109,a28,h,h,5.555,3.471,-2.050,0.050).
atm(m109,a29,h,h,5.859,0.533,-1.165,0.050).
atm(m109,a30,h,h,5.655,1.110,-2.823,0.047).
atm(m109,a31,h,h,3.393,2.004,-2.307,0.065).
atm(m109,a32,h,h,3.476,0.288,-1.876,0.057).
bond(m109,a1,a2,1).
bond(m109,a1,a12,1).
bond(m109,a1,a13,1).
bond(m109,a1,a14,1).
bond(m109,a2,a3,1).
bond(m109,a2,a15,1).
bond(m109,a2,a16,1).
bond(m109,a3,a4,1).
bond(m109,a3,a6,1).
bond(m109,a4,a5,1).
bond(m109,a4,a17,1).
bond(m109,a4,a18,1).
bond(m109,a5,a19,1).
bond(m109,a5,a20,1).
bond(m109,a5,a21,1).
bond(m109,a6,a7,1).
bond(m109,a6,a11,1).
bond(m109,a6,a22,1).
bond(m109,a7,a8,1).
bond(m109,a7,a23,1).
bond(m109,a7,a24,1).
bond(m109,a8,a9,1).
bond(m109,a8,a25,1).
bond(m109,a8,a26,1).
bond(m109,a9,a10,1).
bond(m109,a9,a27,1).
bond(m109,a9,a28,1).
bond(m109,a10,a11,1).
bond(m109,a10,a29,1).
bond(m109,a10,a30,1).
bond(m109,a11,a31,1).
bond(m109,a11,a32,1).
atm(m10,a1,o,o3,16.978,10.522,0.000,-0.308).
atm(m10,a2,c,c3,17.240,9.259,0.563,0.071).
atm(m10,a3,c,c3,16.669,9.199,1.980,-0.127).
atm(m10,a4,c,c3,16.749,7.787,2.535,-0.142).
atm(m10,a5,c,c3,16.645,7.802,4.058,0.078).
atm(m10,a6,o,o3,16.247,6.529,4.550,-0.248).
atm(m10,a7,c,c2,17.167,5.595,4.902,0.418).
atm(m10,a8,o,o2,18.350,5.852,4.770,-0.385).
atm(m10,a9,c,car,16.612,4.297,5.396,-0.073).
atm(m10,a10,c,car,17.401,3.616,6.330,-0.062).
atm(m10,a11,c,car,17.019,2.373,6.817,-0.095).
atm(m10,a12,c,car,15.851,1.778,6.359,-0.079).
atm(m10,a13,c,car,15.067,2.435,5.419,-0.080).
atm(m10,a14,c,car,15.434,3.692,4.937,-0.053).
atm(m10,a15,c,c2,14.472,4.340,3.993,0.415).
atm(m10,a16,o,o2,13.787,5.320,4.196,-0.344).
atm(m10,a17,o,o3,14.422,3.696,2.782,-0.267).
atm(m10,a18,c,c3,13.567,4.197,1.759,0.072).
atm(m10,a19,c,c3,14.316,5.184,0.867,-0.136).
atm(m10,a20,c,c3,13.409,5.720,-0.225,-0.144).
atm(m10,a21,c,c3,14.201,6.616,-1.174,0.046).
atm(m10,a22,o,o3,13.351,7.292,-2.086,-0.224).
atm(m10,a23,c,c2,13.034,6.710,-3.277,0.394).
atm(m10,a24,o,o2,12.205,7.392,-3.840,-0.324).
atm(m10,a25,c,car,13.685,5.484,-3.823,-0.092).
atm(m10,a26,c,car,14.995,5.582,-4.300,-0.075).
atm(m10,a27,c,car,15.634,4.461,-4.820,-0.085).
atm(m10,a28,c,car,14.969,3.239,-4.866,-0.083).
atm(m10,a29,c,car,13.655,3.141,-4.419,-0.068).
atm(m10,a30,c,car,13.005,4.266,-3.903,-0.068).
atm(m10,a31,c,c2,11.586,4.119,-3.451,0.423).
atm(m10,a32,o,o2,11.188,3.836,-2.339,-0.370).
atm(m10,a33,o,o3,10.718,4.287,-4.490,-0.248).
atm(m10,a34,c,c3,9.317,4.310,-4.248,0.073).
atm(m10,a35,c,c3,8.825,5.694,-3.832,-0.140).
atm(m10,a36,c,c3,7.307,5.727,-3.812,-0.109).
atm(m10,a37,c,c3,6.812,7.106,-3.380,0.074).
atm(m10,a38,o,o3,5.403,7.078,-3.411,-0.313).
atm(m10,a39,h,h,17.817,10.905,-0.209,0.185).
atm(m10,a40,h,h,16.736,8.519,-0.090,0.035).
atm(m10,a41,h,h,18.321,9.030,0.553,0.025).
atm(m10,a42,h,h,17.221,9.905,2.632,0.055).
atm(m10,a43,h,h,15.618,9.555,1.990,0.071).
atm(m10,a44,h,h,15.934,7.171,2.092,0.068).
atm(m10,a45,h,h,17.694,7.296,2.229,0.062).
atm(m10,a46,h,h,17.564,8.180,4.542,0.062).
atm(m10,a47,h,h,15.794,8.425,4.394,0.063).
atm(m10,a48,h,h,18.337,4.068,6.685,0.125).
atm(m10,a49,h,h,17.643,1.862,7.559,0.111).
atm(m10,a50,h,h,15.549,0.794,6.734,0.110).
atm(m10,a51,h,h,14.148,1.961,5.054,0.116).
atm(m10,a52,h,h,13.311,3.267,1.219,0.059).
atm(m10,a53,h,h,12.632,4.633,2.159,0.067).
atm(m10,a54,h,h,14.712,6.024,1.481,0.070).
atm(m10,a55,h,h,15.205,4.694,0.423,0.057).
atm(m10,a56,h,h,12.945,4.872,-0.769,0.075).
atm(m10,a57,h,h,12.559,6.279,0.218,0.076).
atm(m10,a58,h,h,14.664,7.460,-0.627,0.068).
atm(m10,a59,h,h,14.999,6.060,-1.702,0.045).
atm(m10,a60,h,h,15.524,6.542,-4.238,0.117).
atm(m10,a61,h,h,16.665,4.545,-5.180,0.111).
atm(m10,a62,h,h,15.467,2.346,-5.259,0.111).
atm(m10,a63,h,h,13.120,2.186,-4.469,0.117).
atm(m10,a64,h,h,8.929,4.024,-5.243,0.058).
atm(m10,a65,h,h,9.013,3.533,-3.521,0.058).
atm(m10,a66,h,h,9.230,5.954,-2.834,0.068).
atm(m10,a67,h,h,9.218,6.464,-4.526,0.075).
atm(m10,a68,h,h,6.905,5.472,-4.813,0.060).
atm(m10,a69,h,h,6.917,4.948,-3.126,0.061).
atm(m10,a70,h,h,7.170,7.350,-2.360,0.025).
atm(m10,a71,h,h,7.194,7.892,-4.061,0.026).
atm(m10,a72,h,h,5.113,7.937,-3.136,0.186).
bond(m10,a1,a2,1).
bond(m10,a1,a39,1).
bond(m10,a2,a3,1).
bond(m10,a2,a40,1).
bond(m10,a2,a41,1).
bond(m10,a3,a4,1).
bond(m10,a3,a42,1).
bond(m10,a3,a43,1).
bond(m10,a4,a5,1).
bond(m10,a4,a44,1).
bond(m10,a4,a45,1).
bond(m10,a5,a6,1).
bond(m10,a5,a46,1).
bond(m10,a5,a47,1).
bond(m10,a6,a7,1).
bond(m10,a7,a8,2).
bond(m10,a7,a9,1).
bond(m10,a9,a10,ar).
bond(m10,a9,a14,ar).
bond(m10,a10,a11,ar).
bond(m10,a10,a48,1).
bond(m10,a11,a12,ar).
bond(m10,a11,a49,1).
bond(m10,a12,a13,ar).
bond(m10,a12,a50,1).
bond(m10,a13,a14,ar).
bond(m10,a13,a51,1).
bond(m10,a14,a15,1).
bond(m10,a15,a16,2).
bond(m10,a15,a17,1).
bond(m10,a17,a18,1).
bond(m10,a18,a19,1).
bond(m10,a18,a52,1).
bond(m10,a18,a53,1).
bond(m10,a19,a20,1).
bond(m10,a19,a54,1).
bond(m10,a19,a55,1).
bond(m10,a20,a21,1).
bond(m10,a20,a56,1).
bond(m10,a20,a57,1).
bond(m10,a21,a22,1).
bond(m10,a21,a58,1).
bond(m10,a21,a59,1).
bond(m10,a22,a23,1).
bond(m10,a23,a24,2).
bond(m10,a23,a25,1).
bond(m10,a25,a26,ar).
bond(m10,a25,a30,ar).
bond(m10,a26,a27,ar).
bond(m10,a26,a60,1).
bond(m10,a27,a28,ar).
bond(m10,a27,a61,1).
bond(m10,a28,a29,ar).
bond(m10,a28,a62,1).
bond(m10,a29,a30,ar).
bond(m10,a29,a63,1).
bond(m10,a30,a31,1).
bond(m10,a31,a32,2).
bond(m10,a31,a33,1).
bond(m10,a33,a34,1).
bond(m10,a34,a35,1).
bond(m10,a34,a64,1).
bond(m10,a34,a65,1).
bond(m10,a35,a36,1).
bond(m10,a35,a66,1).
bond(m10,a35,a67,1).
bond(m10,a36,a37,1).
bond(m10,a36,a68,1).
bond(m10,a36,a69,1).
bond(m10,a37,a38,1).
bond(m10,a37,a70,1).
bond(m10,a37,a71,1).
bond(m10,a38,a72,1).
atm(m110,a1,c,c3,0.000,0.000,0.000,-0.125).
atm(m110,a2,c,c3,1.513,-0.050,-0.029,-0.079).
atm(m110,a3,n,npl3,2.197,1.274,0.075,0.001).
atm(m110,a4,c,c3,1.449,2.470,-0.400,-0.085).
atm(m110,a5,c,c3,1.048,2.452,-1.863,-0.147).
atm(m110,a6,c,car,3.601,1.266,-0.291,-0.040).
atm(m110,a7,c,car,4.355,2.430,-0.070,-0.137).
atm(m110,a8,c,car,5.721,2.435,-0.312,-0.077).
atm(m110,a9,c,car,6.356,1.289,-0.780,-0.132).
atm(m110,a10,c,car,5.614,0.138,-1.017,-0.075).
atm(m110,a11,c,car,4.245,0.122,-0.779,-0.157).
atm(m110,a12,h,h,-0.390,0.499,0.897,0.050).
atm(m110,a13,h,h,-0.410,-1.019,-0.008,0.044).
atm(m110,a14,h,h,-0.408,0.526,-0.881,0.050).
atm(m110,a15,h,h,1.886,-0.636,0.835,0.058).
atm(m110,a16,h,h,1.854,-0.601,-0.938,0.045).
atm(m110,a17,h,h,0.554,2.569,0.246,0.062).
atm(m110,a18,h,h,2.088,3.356,-0.181,0.067).
atm(m110,a19,h,h,0.320,1.648,-2.066,0.049).
atm(m110,a20,h,h,1.907,2.301,-2.530,0.050).
atm(m110,a21,h,h,0.575,3.401,-2.146,0.046).
atm(m110,a22,h,h,3.850,3.342,0.281,0.115).
atm(m110,a23,h,h,6.300,3.346,-0.132,0.100).
atm(m110,a24,h,h,7.435,1.295,-0.965,0.104).
atm(m110,a25,h,h,6.108,-0.763,-1.394,0.099).
atm(m110,a26,h,h,3.667,-0.791,-0.987,0.115).
bond(m110,a1,a2,1).
bond(m110,a1,a12,1).
bond(m110,a1,a13,1).
bond(m110,a1,a14,1).
bond(m110,a2,a3,1).
bond(m110,a2,a15,1).
bond(m110,a2,a16,1).
bond(m110,a3,a4,1).
bond(m110,a3,a6,1).
bond(m110,a4,a5,1).
bond(m110,a4,a17,1).
bond(m110,a4,a18,1).
bond(m110,a5,a19,1).
bond(m110,a5,a20,1).
bond(m110,a5,a21,1).
bond(m110,a6,a7,ar).
bond(m110,a6,a11,ar).
bond(m110,a7,a8,ar).
bond(m110,a7,a22,1).
bond(m110,a8,a9,ar).
bond(m110,a8,a23,1).
bond(m110,a9,a10,ar).
bond(m110,a9,a24,1).
bond(m110,a10,a11,ar).
bond(m110,a10,a25,1).
bond(m110,a11,a26,1).
atm(m111,a1,o,o3,0.000,1.212,0.000,-0.311).
atm(m111,a2,c,c3,0.610,0.078,-0.549,0.065).
atm(m111,a3,c,c3,1.876,-0.366,0.200,-0.141).
atm(m111,a4,n,npl3,3.027,0.510,-0.168,0.003).
atm(m111,a5,c,c3,3.474,0.308,-1.576,-0.096).
atm(m111,a6,c,c3,4.177,-1.006,-1.858,-0.141).
atm(m111,a7,c,car,4.077,0.686,0.812,-0.029).
atm(m111,a8,c,car,5.265,1.326,0.427,-0.155).
atm(m111,a9,c,car,6.258,1.602,1.364,-0.045).
atm(m111,a10,c,c3,7.506,2.281,0.929,-0.067).
atm(m111,a11,c,car,6.072,1.242,2.699,-0.134).
atm(m111,a12,c,car,4.895,0.613,3.086,-0.067).
atm(m111,a13,c,car,3.902,0.334,2.158,-0.161).
atm(m111,a14,h,h,0.649,1.905,0.015,0.194).
atm(m111,a15,h,h,-0.179,-0.690,-0.473,0.055).
atm(m111,a16,h,h,0.832,0.238,-1.629,0.034).
atm(m111,a17,h,h,1.709,-0.317,1.299,0.083).
atm(m111,a18,h,h,2.089,-1.430,-0.035,0.054).
atm(m111,a19,h,h,2.559,0.408,-2.202,0.067).
atm(m111,a20,h,h,4.142,1.160,-1.830,0.068).
atm(m111,a21,h,h,3.542,-1.877,-1.644,0.044).
atm(m111,a22,h,h,5.094,-1.115,-1.262,0.052).
atm(m111,a23,h,h,4.465,-1.067,-2.916,0.048).
atm(m111,a24,h,h,5.417,1.616,-0.625,0.119).
atm(m111,a25,h,h,8.210,2.431,1.758,0.044).
atm(m111,a26,h,h,8.022,1.694,0.157,0.046).
atm(m111,a27,h,h,7.284,3.268,0.500,0.047).
atm(m111,a28,h,h,6.850,1.456,3.440,0.108).
atm(m111,a29,h,h,4.747,0.334,4.135,0.100).
atm(m111,a30,h,h,2.974,-0.155,2.491,0.116).
bond(m111,a1,a2,1).
bond(m111,a1,a14,1).
bond(m111,a2,a3,1).
bond(m111,a2,a15,1).
bond(m111,a2,a16,1).
bond(m111,a3,a4,1).
bond(m111,a3,a17,1).
bond(m111,a3,a18,1).
bond(m111,a4,a5,1).
bond(m111,a4,a7,1).
bond(m111,a5,a6,1).
bond(m111,a5,a19,1).
bond(m111,a5,a20,1).
bond(m111,a6,a21,1).
bond(m111,a6,a22,1).
bond(m111,a6,a23,1).
bond(m111,a7,a8,ar).
bond(m111,a7,a13,ar).
bond(m111,a8,a9,ar).
bond(m111,a8,a24,1).
bond(m111,a9,a10,1).
bond(m111,a9,a11,ar).
bond(m111,a10,a25,1).
bond(m111,a10,a26,1).
bond(m111,a10,a27,1).
bond(m111,a11,a12,ar).
bond(m111,a11,a28,1).
bond(m111,a12,a13,ar).
bond(m111,a12,a29,1).
bond(m111,a13,a30,1).
atm(m112,a1,c,c3,2.102,0.000,0.000,-0.116).
atm(m112,a2,c,c3,0.591,-0.040,0.132,-0.090).
atm(m112,a3,c,c3,0.042,1.339,0.466,-0.097).
atm(m112,a4,c,c3,0.462,2.356,-0.583,-0.093).
atm(m112,a5,c,c3,1.973,2.402,-0.739,-0.106).
atm(m112,a6,c,c3,2.549,1.020,-1.049,-0.077).
atm(m112,a7,c,c3,4.085,1.088,-1.130,-0.077).
atm(m112,a8,c,c3,4.686,1.491,0.218,-0.116).
atm(m112,a9,c,c3,6.202,1.513,0.168,-0.090).
atm(m112,a10,c,c3,6.745,0.161,-0.268,-0.097).
atm(m112,a11,c,c3,6.171,-0.241,-1.617,-0.093).
atm(m112,a12,c,c3,4.652,-0.254,-1.594,-0.106).
atm(m112,a13,h,h,2.510,-0.998,-0.275,0.057).
atm(m112,a14,h,h,2.576,0.249,0.977,0.060).
atm(m112,a15,h,h,0.299,-0.767,0.914,0.047).
atm(m112,a16,h,h,0.139,-0.409,-0.810,0.049).
atm(m112,a17,h,h,0.402,1.656,1.465,0.050).
atm(m112,a18,h,h,-1.062,1.301,0.539,0.047).
atm(m112,a19,h,h,0.081,3.359,-0.312,0.047).
atm(m112,a20,h,h,-0.007,2.106,-1.556,0.049).
atm(m112,a21,h,h,2.458,2.798,0.183,0.059).
atm(m112,a22,h,h,2.245,3.111,-1.545,0.049).
atm(m112,a23,h,h,2.161,0.692,-2.045,0.065).
atm(m112,a24,h,h,4.361,1.866,-1.884,0.064).
atm(m112,a25,h,h,4.327,0.787,1.004,0.061).
atm(m112,a26,h,h,4.276,2.484,0.510,0.057).
atm(m112,a27,h,h,6.609,1.785,1.161,0.047).
atm(m112,a28,h,h,6.547,2.302,-0.529,0.049).
atm(m112,a29,h,h,6.499,-0.607,0.491,0.050).
atm(m112,a30,h,h,7.850,0.193,-0.320,0.047).
atm(m112,a31,h,h,6.550,-1.240,-1.909,0.047).
atm(m112,a32,h,h,6.527,0.458,-2.400,0.049).
atm(m112,a33,h,h,4.263,-0.497,-2.602,0.049).
atm(m112,a34,h,h,4.269,-1.059,-0.926,0.059).
bond(m112,a1,a2,1).
bond(m112,a1,a6,1).
bond(m112,a1,a13,1).
bond(m112,a1,a14,1).
bond(m112,a2,a3,1).
bond(m112,a2,a15,1).
bond(m112,a2,a16,1).
bond(m112,a3,a4,1).
bond(m112,a3,a17,1).
bond(m112,a3,a18,1).
bond(m112,a4,a5,1).
bond(m112,a4,a19,1).
bond(m112,a4,a20,1).
bond(m112,a5,a6,1).
bond(m112,a5,a21,1).
bond(m112,a5,a22,1).
bond(m112,a6,a7,1).
bond(m112,a6,a23,1).
bond(m112,a7,a8,1).
bond(m112,a7,a12,1).
bond(m112,a7,a24,1).
bond(m112,a8,a9,1).
bond(m112,a8,a25,1).
bond(m112,a8,a26,1).
bond(m112,a9,a10,1).
bond(m112,a9,a27,1).
bond(m112,a9,a28,1).
bond(m112,a10,a11,1).
bond(m112,a10,a29,1).
bond(m112,a10,a30,1).
bond(m112,a11,a12,1).
bond(m112,a11,a31,1).
bond(m112,a11,a32,1).
bond(m112,a12,a33,1).
bond(m112,a12,a34,1).
atm(m113,a1,c,car,2.102,0.000,0.000,-0.041).
atm(m113,a2,c,car,0.711,0.000,0.027,-0.111).
atm(m113,a3,c,car,0.012,1.200,0.103,-0.074).
atm(m113,a4,c,car,0.705,2.407,0.149,-0.109).
atm(m113,a5,c,car,2.092,2.411,0.115,-0.074).
atm(m113,a6,c,car,2.799,1.208,0.040,-0.170).
atm(m113,a7,c,c2,4.292,1.214,0.024,0.341).
atm(m113,a8,o,o2,4.941,0.322,0.535,-0.306).
atm(m113,a9,c,c3,4.925,2.394,-0.682,-0.224).
atm(m113,a10,c,c2,6.409,2.570,-0.416,0.298).
atm(m113,a11,o,o2,7.230,2.376,-1.289,-0.304).
atm(m113,a12,c,c3,6.786,3.024,0.966,-0.170).
atm(m113,a13,h,h,2.652,-0.948,-0.047,0.120).
atm(m113,a14,h,h,0.166,-0.950,-0.009,0.109).
atm(m113,a15,h,h,-1.083,1.196,0.127,0.105).
atm(m113,a16,h,h,0.156,3.352,0.211,0.108).
atm(m113,a17,h,h,2.653,3.358,0.140,0.107).
atm(m113,a18,h,h,4.730,2.273,-1.768,0.101).
atm(m113,a19,h,h,4.385,3.321,-0.381,0.090).
atm(m113,a20,h,h,7.857,3.250,1.059,0.070).
atm(m113,a21,h,h,6.228,3.926,1.247,0.056).
atm(m113,a22,h,h,6.548,2.240,1.699,0.077).
bond(m113,a1,a2,ar).
bond(m113,a1,a6,ar).
bond(m113,a1,a13,1).
bond(m113,a2,a3,ar).
bond(m113,a2,a14,1).
bond(m113,a3,a4,ar).
bond(m113,a3,a15,1).
bond(m113,a4,a5,ar).
bond(m113,a4,a16,1).
bond(m113,a5,a6,ar).
bond(m113,a5,a17,1).
bond(m113,a6,a7,1).
bond(m113,a7,a8,2).
bond(m113,a7,a9,1).
bond(m113,a9,a10,1).
bond(m113,a9,a18,1).
bond(m113,a9,a19,1).
bond(m113,a10,a11,2).
bond(m113,a10,a12,1).
bond(m113,a12,a20,1).
bond(m113,a12,a21,1).
bond(m113,a12,a22,1).
atm(m114,a1,c,car,3.496,0.000,0.000,-0.013).
atm(m114,a2,c,car,2.109,-0.004,-0.008,-0.167).
atm(m114,a3,c,car,1.406,1.203,-0.144,-0.049).
atm(m114,a4,n,npl3,-0.013,1.193,-0.262,0.081).
atm(m114,a5,c,car,2.114,2.409,-0.261,-0.168).
atm(m114,a6,c,car,3.501,2.404,-0.256,-0.013).
atm(m114,a7,c,car,4.200,1.201,-0.128,-0.166).
atm(m114,a8,c,c2,5.684,1.163,-0.102,0.432).
atm(m114,a9,o,o2,6.388,0.342,0.457,-0.391).
atm(m114,a10,o,o3,6.275,2.173,-0.805,-0.268).
atm(m114,a11,c,c3,7.703,2.233,-0.834,0.079).
atm(m114,a12,c,c3,8.063,3.447,-1.669,-0.124).
atm(m114,a13,h,h,4.044,-0.944,0.112,0.118).
atm(m114,a14,h,h,1.573,-0.956,0.090,0.115).
atm(m114,a15,h,h,-0.420,2.053,0.033,0.034).
atm(m114,a16,h,h,-0.423,0.415,0.204,0.035).
atm(m114,a17,h,h,1.580,3.362,-0.361,0.114).
atm(m114,a18,h,h,4.043,3.352,-0.353,0.114).
atm(m114,a19,h,h,8.095,2.317,0.197,0.047).
atm(m114,a20,h,h,8.107,1.302,-1.275,0.048).
atm(m114,a21,h,h,9.154,3.549,-1.730,0.047).
atm(m114,a22,h,h,7.679,3.372,-2.695,0.049).
atm(m114,a23,h,h,7.667,4.377,-1.239,0.047).
bond(m114,a1,a2,ar).
bond(m114,a1,a7,ar).
bond(m114,a1,a13,1).
bond(m114,a2,a3,ar).
bond(m114,a2,a14,1).
bond(m114,a3,a4,1).
bond(m114,a3,a5,ar).
bond(m114,a4,a15,1).
bond(m114,a4,a16,1).
bond(m114,a5,a6,ar).
bond(m114,a5,a17,1).
bond(m114,a6,a7,ar).
bond(m114,a6,a18,1).
bond(m114,a7,a8,1).
bond(m114,a8,a9,2).
bond(m114,a8,a10,1).
bond(m114,a10,a11,1).
bond(m114,a11,a12,1).
bond(m114,a11,a19,1).
bond(m114,a11,a20,1).
bond(m114,a12,a21,1).
bond(m114,a12,a22,1).
bond(m114,a12,a23,1).
atm(m115,a1,o,o3,11.442,0.000,0.000,-0.199).
atm(m115,a2,c,c3,12.755,0.586,-0.039,0.202).
atm(m115,a3,o,o3,12.621,2.008,-0.220,-0.198).
atm(m115,a4,c,car,11.259,2.261,-0.284,0.022).
atm(m115,a5,c,car,10.616,3.472,-0.449,-0.086).
atm(m115,a6,c,car,9.217,3.428,-0.477,-0.097).
atm(m115,a7,c,car,8.502,2.233,-0.347,-0.058).
atm(m115,a8,c,c2,7.044,2.231,-0.381,-0.065).
atm(m115,a9,c,c2,6.315,3.346,-0.547,-0.134).
atm(m115,a10,c,c2,4.865,3.324,-0.577,-0.048).
atm(m115,a11,c,c2,4.148,4.439,-0.751,-0.184).
atm(m115,a12,c,c2,2.659,4.430,-0.735,0.288).
atm(m115,a13,o,o2,2.011,4.589,0.289,-0.363).
atm(m115,a14,n,nam,1.963,4.145,-1.953,-0.065).
atm(m115,a15,c,c3,2.645,4.397,-3.250,-0.069).
atm(m115,a16,c,c3,2.086,5.607,-3.987,-0.115).
atm(m115,a17,c,c3,0.583,5.500,-4.223,-0.095).
atm(m115,a18,c,c3,-0.065,4.407,-3.386,-0.105).
atm(m115,a19,c,c3,0.488,4.379,-1.969,-0.056).
atm(m115,a20,c,car,9.169,1.001,-0.178,-0.073).
atm(m115,a21,c,car,10.546,1.051,-0.152,0.014).
atm(m115,a22,h,h,13.314,0.165,-0.890,0.050).
atm(m115,a23,h,h,13.268,0.390,0.915,0.051).
atm(m115,a24,h,h,11.162,4.414,-0.551,0.123).
atm(m115,a25,h,h,8.648,4.362,-0.605,0.113).
atm(m115,a26,h,h,6.556,1.254,-0.261,0.105).
atm(m115,a27,h,h,6.822,4.320,-0.662,0.110).
atm(m115,a28,h,h,4.375,2.349,-0.447,0.108).
atm(m115,a29,h,h,4.616,5.426,-0.858,0.120).
atm(m115,a30,h,h,2.515,3.479,-3.860,0.061).
atm(m115,a31,h,h,3.736,4.511,-3.090,0.066).
atm(m115,a32,h,h,2.618,5.718,-4.951,0.057).
atm(m115,a33,h,h,2.315,6.532,-3.420,0.053).
atm(m115,a34,h,h,0.375,5.309,-5.294,0.051).
atm(m115,a35,h,h,0.105,6.475,-4.003,0.051).
atm(m115,a36,h,h,0.071,3.419,-3.873,0.058).
atm(m115,a37,h,h,-1.161,4.563,-3.343,0.058).
atm(m115,a38,h,h,0.236,5.325,-1.444,0.058).
atm(m115,a39,h,h,0.025,3.560,-1.383,0.065).
atm(m115,a40,h,h,8.619,0.060,-0.074,0.125).
bond(m115,a1,a2,1).
bond(m115,a1,a21,1).
bond(m115,a2,a3,1).
bond(m115,a2,a22,1).
bond(m115,a2,a23,1).
bond(m115,a3,a4,1).
bond(m115,a4,a5,ar).
bond(m115,a4,a21,ar).
bond(m115,a5,a6,ar).
bond(m115,a5,a24,1).
bond(m115,a6,a7,ar).
bond(m115,a6,a25,1).
bond(m115,a7,a8,1).
bond(m115,a7,a20,ar).
bond(m115,a8,a9,2).
bond(m115,a8,a26,1).
bond(m115,a9,a10,1).
bond(m115,a9,a27,1).
bond(m115,a10,a11,2).
bond(m115,a10,a28,1).
bond(m115,a11,a12,1).
bond(m115,a11,a29,1).
bond(m115,a12,a13,2).
bond(m115,a12,a14,1).
bond(m115,a14,a15,1).
bond(m115,a14,a19,1).
bond(m115,a15,a16,1).
bond(m115,a15,a30,1).
bond(m115,a15,a31,1).
bond(m115,a16,a17,1).
bond(m115,a16,a32,1).
bond(m115,a16,a33,1).
bond(m115,a17,a18,1).
bond(m115,a17,a34,1).
bond(m115,a17,a35,1).
bond(m115,a18,a19,1).
bond(m115,a18,a36,1).
bond(m115,a18,a37,1).
bond(m115,a19,a38,1).
bond(m115,a19,a39,1).
bond(m115,a20,a21,ar).
bond(m115,a20,a40,1).
atm(m116,a1,c,car,2.100,1.211,0.000,-0.280).
atm(m116,a2,c,c2,0.618,1.203,0.001,0.344).
atm(m116,a3,o,o2,-0.038,0.183,0.002,-0.333).
atm(m116,a4,c,car,2.824,2.419,0.013,0.194).
atm(m116,a5,o,o3,2.110,3.582,0.026,-0.227).
atm(m116,a6,c,car,4.227,2.425,0.011,-0.320).
atm(m116,a7,c,car,4.902,1.200,-0.002,0.173).
atm(m116,a8,o,o3,6.261,1.107,-0.004,-0.219).
atm(m116,a9,c,car,4.199,-0.015,-0.015,-0.202).
atm(m116,a10,c,car,2.814,0.007,-0.013,0.034).
atm(m116,a11,h,h,0.101,2.175,-0.001,0.060).
atm(m116,a12,h,h,2.723,4.306,0.032,0.204).
atm(m116,a13,h,h,4.782,3.372,0.021,0.122).
atm(m116,a14,h,h,6.622,1.985,0.005,0.200).
atm(m116,a15,h,h,4.741,-0.967,-0.025,0.130).
atm(m116,a16,h,h,2.260,-0.941,-0.023,0.121).
bond(m116,a1,a2,1).
bond(m116,a1,a4,ar).
bond(m116,a1,a10,ar).
bond(m116,a2,a3,2).
bond(m116,a2,a11,1).
bond(m116,a4,a5,1).
bond(m116,a4,a6,ar).
bond(m116,a5,a12,1).
bond(m116,a6,a7,ar).
bond(m116,a6,a13,1).
bond(m116,a7,a8,1).
bond(m116,a7,a9,ar).
bond(m116,a8,a14,1).
bond(m116,a9,a10,ar).
bond(m116,a9,a15,1).
bond(m116,a10,a16,1).
atm(m117,a1,c,c3,0.000,1.215,0.000,-0.066).
atm(m117,a2,c,car,1.479,1.214,-0.140,-0.074).
atm(m117,a3,c,car,2.215,2.403,-0.036,-0.074).
atm(m117,a4,c,c3,1.539,3.702,0.216,-0.066).
atm(m117,a5,c,car,3.604,2.365,-0.173,-0.101).
atm(m117,a6,c,car,4.260,1.163,-0.409,-0.105).
atm(m117,a7,c,car,3.530,-0.016,-0.511,-0.105).
atm(m117,a8,c,car,2.148,0.011,-0.377,-0.101).
atm(m117,a9,h,h,-0.301,1.604,0.983,0.047).
atm(m117,a10,h,h,-0.429,0.210,-0.104,0.044).
atm(m117,a11,h,h,-0.465,1.855,-0.763,0.047).
atm(m117,a12,h,h,2.248,4.538,0.269,0.044).
atm(m117,a13,h,h,0.817,3.930,-0.581,0.047).
atm(m117,a14,h,h,0.984,3.677,1.164,0.047).
atm(m117,a15,h,h,4.183,3.293,-0.093,0.104).
atm(m117,a16,h,h,5.349,1.146,-0.514,0.102).
atm(m117,a17,h,h,4.043,-0.964,-0.698,0.102).
atm(m117,a18,h,h,1.576,-0.921,-0.459,0.104).
bond(m117,a1,a2,1).
bond(m117,a1,a9,1).
bond(m117,a1,a10,1).
bond(m117,a1,a11,1).
bond(m117,a2,a3,ar).
bond(m117,a2,a8,ar).
bond(m117,a3,a4,1).
bond(m117,a3,a5,ar).
bond(m117,a4,a12,1).
bond(m117,a4,a13,1).
bond(m117,a4,a14,1).
bond(m117,a5,a6,ar).
bond(m117,a5,a15,1).
bond(m117,a6,a7,ar).
bond(m117,a6,a16,1).
bond(m117,a7,a8,ar).
bond(m117,a7,a17,1).
bond(m117,a8,a18,1).
atm(m118,a1,o,o3,0.000,1.215,0.000,-0.230).
atm(m118,a2,c,car,1.303,1.191,-0.417,0.103).
atm(m118,a3,c,car,2.230,2.221,-0.170,-0.166).
atm(m118,a4,c,c3,1.860,3.450,0.580,-0.057).
atm(m118,a5,c,car,3.531,2.069,-0.652,-0.062).
atm(m118,a6,c,car,3.904,0.932,-1.356,-0.141).
atm(m118,a7,c,car,2.978,-0.079,-1.593,-0.068).
atm(m118,a8,c,car,1.677,0.041,-1.128,-0.143).
atm(m118,a9,h,h,-0.149,2.028,0.467,0.199).
atm(m118,a10,h,h,2.710,4.139,0.675,0.051).
atm(m118,a11,h,h,1.053,4.001,0.077,0.042).
atm(m118,a12,h,h,1.522,3.212,1.599,0.042).
atm(m118,a13,h,h,4.268,2.861,-0.471,0.103).
atm(m118,a14,h,h,4.930,0.831,-1.726,0.106).
atm(m118,a15,h,h,3.276,-0.975,-2.148,0.102).
atm(m118,a16,h,h,0.945,-0.754,-1.312,0.121).
bond(m118,a1,a2,1).
bond(m118,a1,a9,1).
bond(m118,a2,a3,ar).
bond(m118,a2,a8,ar).
bond(m118,a3,a4,1).
bond(m118,a3,a5,ar).
bond(m118,a4,a10,1).
bond(m118,a4,a11,1).
bond(m118,a4,a12,1).
bond(m118,a5,a6,ar).
bond(m118,a5,a13,1).
bond(m118,a6,a7,ar).
bond(m118,a6,a14,1).
bond(m118,a7,a8,ar).
bond(m118,a7,a15,1).
bond(m118,a8,a16,1).
atm(m119,a1,cl,cl,0.000,1.215,0.000,0.092).
atm(m119,a2,c,car,1.680,1.215,0.000,-0.135).
atm(m119,a3,c,car,2.376,2.424,0.000,-0.135).
atm(m119,a4,cl,cl,1.530,3.876,0.001,0.092).
atm(m119,a5,c,car,3.769,2.430,0.000,-0.092).
atm(m119,a6,c,car,4.460,1.224,0.000,-0.091).
atm(m119,a7,c,car,3.766,0.017,-0.001,-0.091).
atm(m119,a8,c,car,2.376,0.008,-0.001,-0.092).
atm(m119,a9,h,h,4.307,3.384,0.000,0.118).
atm(m119,a10,h,h,5.555,1.225,0.000,0.108).
atm(m119,a11,h,h,4.316,-0.930,-0.001,0.108).
atm(m119,a12,h,h,1.822,-0.938,-0.001,0.118).
bond(m119,a1,a2,1).
bond(m119,a2,a3,ar).
bond(m119,a2,a8,ar).
bond(m119,a3,a4,1).
bond(m119,a3,a5,ar).
bond(m119,a5,a6,ar).
bond(m119,a5,a9,1).
bond(m119,a6,a7,ar).
bond(m119,a6,a10,1).
bond(m119,a7,a8,ar).
bond(m119,a7,a11,1).
bond(m119,a8,a12,1).
atm(m11,a1,c,c3,13.358,0.695,0.000,-0.111).
atm(m11,a2,c,c3,12.074,-0.044,-0.310,-0.087).
atm(m11,a3,c,c3,10.866,0.755,0.140,-0.168).
atm(m11,a4,s,s3,9.343,-0.174,-0.250,-0.048).
atm(m11,a5,c,c3,8.068,0.980,0.364,-0.168).
atm(m11,a6,c,c3,6.696,0.378,0.132,-0.091).
atm(m11,a7,c,c3,5.606,1.317,0.632,-0.091).
atm(m11,a8,c,c3,4.234,0.715,0.402,-0.168).
atm(m11,a9,s,s3,2.958,1.872,1.010,-0.048).
atm(m11,a10,c,c3,1.436,0.929,0.652,-0.168).
atm(m11,a11,c,c3,0.229,1.730,1.101,-0.087).
atm(m11,a12,c,c3,-1.054,0.979,0.819,-0.111).
atm(m11,a13,h,h,14.233,0.118,-0.325,0.043).
atm(m11,a14,h,h,13.399,1.668,-0.507,0.039).
atm(m11,a15,h,h,13.470,0.882,1.076,0.039).
atm(m11,a16,h,h,12.009,-0.251,-1.397,0.065).
atm(m11,a17,h,h,12.079,-1.036,0.185,0.065).
atm(m11,a18,h,h,10.920,0.961,1.226,0.071).
atm(m11,a19,h,h,10.848,1.743,-0.356,0.071).
atm(m11,a20,h,h,8.225,1.186,1.439,0.073).
atm(m11,a21,h,h,8.157,1.956,-0.149,0.073).
atm(m11,a22,h,h,6.550,0.166,-0.947,0.068).
atm(m11,a23,h,h,6.617,-0.602,0.645,0.067).
atm(m11,a24,h,h,5.752,1.531,1.710,0.068).
atm(m11,a25,h,h,5.683,2.297,0.117,0.067).
atm(m11,a26,h,h,4.076,0.504,-0.672,0.073).
atm(m11,a27,h,h,4.144,-0.259,0.919,0.072).
atm(m11,a28,h,h,1.372,0.704,-0.429,0.071).
atm(m11,a29,h,h,1.464,-0.051,1.164,0.071).
atm(m11,a30,h,h,0.305,1.957,2.183,0.065).
atm(m11,a31,h,h,0.214,2.713,0.588,0.065).
atm(m11,a32,h,h,-1.085,0.015,1.344,0.039).
atm(m11,a33,h,h,-1.929,1.557,1.143,0.043).
atm(m11,a34,h,h,-1.177,0.771,-0.253,0.039).
bond(m11,a1,a2,1).
bond(m11,a1,a13,1).
bond(m11,a1,a14,1).
bond(m11,a1,a15,1).
bond(m11,a2,a3,1).
bond(m11,a2,a16,1).
bond(m11,a2,a17,1).
bond(m11,a3,a4,1).
bond(m11,a3,a18,1).
bond(m11,a3,a19,1).
bond(m11,a4,a5,1).
bond(m11,a5,a6,1).
bond(m11,a5,a20,1).
bond(m11,a5,a21,1).
bond(m11,a6,a7,1).
bond(m11,a6,a22,1).
bond(m11,a6,a23,1).
bond(m11,a7,a8,1).
bond(m11,a7,a24,1).
bond(m11,a7,a25,1).
bond(m11,a8,a9,1).
bond(m11,a8,a26,1).
bond(m11,a8,a27,1).
bond(m11,a9,a10,1).
bond(m11,a10,a11,1).
bond(m11,a10,a28,1).
bond(m11,a10,a29,1).
bond(m11,a11,a12,1).
bond(m11,a11,a30,1).
bond(m11,a11,a31,1).
bond(m11,a12,a32,1).
bond(m11,a12,a33,1).
bond(m11,a12,a34,1).
atm(m120,a1,n,npl3,0.000,1.215,0.000,0.077).
atm(m120,a2,c,car,1.403,1.250,-0.255,-0.073).
atm(m120,a3,c,car,2.160,2.392,0.047,-0.172).
atm(m120,a4,cl,cl,1.454,3.705,0.844,0.066).
atm(m120,a5,c,car,3.506,2.464,-0.299,-0.071).
atm(m120,a6,c,car,4.111,1.396,-0.948,-0.127).
atm(m120,a7,c,car,3.370,0.255,-1.249,-0.070).
atm(m120,a8,c,car,2.028,0.175,-0.906,-0.139).
atm(m120,a9,h,h,-0.251,1.796,0.770,0.039).
atm(m120,a10,h,h,-0.329,0.283,0.123,0.034).
atm(m120,a11,h,h,4.079,3.366,-0.055,0.114).
atm(m120,a12,h,h,5.169,1.451,-1.222,0.107).
atm(m120,a13,h,h,3.850,-0.585,-1.760,0.102).
atm(m120,a14,h,h,1.460,-0.731,-1.151,0.112).
bond(m120,a1,a2,1).
bond(m120,a1,a9,1).
bond(m120,a1,a10,1).
bond(m120,a2,a3,ar).
bond(m120,a2,a8,ar).
bond(m120,a3,a4,1).
bond(m120,a3,a5,ar).
bond(m120,a5,a6,ar).
bond(m120,a5,a11,1).
bond(m120,a6,a7,ar).
bond(m120,a6,a12,1).
bond(m120,a7,a8,ar).
bond(m120,a7,a13,1).
bond(m120,a8,a14,1).
atm(m121,a1,c,c3,0.000,1.215,0.000,-0.062).
atm(m121,a2,c,car,1.478,1.222,-0.126,-0.099).
atm(m121,a3,c,car,2.203,2.420,0.007,0.061).
atm(m121,a4,f,f,1.548,3.568,0.252,-0.093).
atm(m121,a5,c,car,3.598,2.445,-0.109,-0.128).
atm(m121,a6,c,car,4.274,1.258,-0.362,-0.083).
atm(m121,a7,c,car,3.571,0.065,-0.496,-0.110).
atm(m121,a8,c,car,2.186,0.047,-0.380,-0.080).
atm(m121,a9,h,h,-0.308,1.586,0.987,0.054).
atm(m121,a10,h,h,-0.422,0.210,-0.127,0.046).
atm(m121,a11,h,h,-0.458,1.869,-0.754,0.054).
atm(m121,a12,h,h,4.144,3.388,-0.002,0.121).
atm(m121,a13,h,h,5.365,1.265,-0.455,0.106).
atm(m121,a14,h,h,4.111,-0.867,-0.696,0.106).
atm(m121,a15,h,h,1.641,-0.898,-0.488,0.109).
bond(m121,a1,a2,1).
bond(m121,a1,a9,1).
bond(m121,a1,a10,1).
bond(m121,a1,a11,1).
bond(m121,a2,a3,ar).
bond(m121,a2,a8,ar).
bond(m121,a3,a4,1).
bond(m121,a3,a5,ar).
bond(m121,a5,a6,ar).
bond(m121,a5,a12,1).
bond(m121,a6,a7,ar).
bond(m121,a6,a13,1).
bond(m121,a7,a8,ar).
bond(m121,a7,a14,1).
bond(m121,a8,a15,1).
atm(m122,a1,o,o3,0.000,1.215,0.000,-0.221).
atm(m122,a2,c,car,1.318,1.475,-0.241,0.108).
atm(m122,a3,c,car,1.935,2.701,0.051,-0.222).
atm(m122,a4,cl,cl,1.048,3.962,0.741,0.069).
atm(m122,a5,c,car,3.287,2.885,-0.226,-0.058).
atm(m122,a6,c,car,4.022,1.852,-0.793,-0.134).
atm(m122,a7,c,car,3.410,0.634,-1.085,-0.061).
atm(m122,a8,c,car,2.064,0.434,-0.814,-0.136).
atm(m122,a9,h,h,-0.390,1.992,0.385,0.203).
atm(m122,a10,h,h,3.759,3.846,0.006,0.115).
atm(m122,a11,h,h,5.084,1.996,-1.012,0.109).
atm(m122,a12,h,h,3.997,-0.175,-1.532,0.104).
atm(m122,a13,h,h,1.584,-0.524,-1.044,0.124).
bond(m122,a1,a2,1).
bond(m122,a1,a9,1).
bond(m122,a2,a3,ar).
bond(m122,a2,a8,ar).
bond(m122,a3,a4,1).
bond(m122,a3,a5,ar).
bond(m122,a5,a6,ar).
bond(m122,a5,a10,1).
bond(m122,a6,a7,ar).
bond(m122,a6,a11,1).
bond(m122,a7,a8,ar).
bond(m122,a7,a12,1).
bond(m122,a8,a13,1).
atm(m123,a1,c,c3,4.852,2.800,0.000,-0.072).
atm(m123,a2,c,car,3.555,2.073,0.000,-0.077).
atm(m123,a3,c,car,3.470,0.676,-0.001,-0.066).
atm(m123,a4,c,c3,4.671,-0.201,-0.002,-0.074).
atm(m123,a5,c,car,2.213,0.062,-0.001,-0.105).
atm(m123,a6,c,car,1.047,0.820,0.000,-0.076).
atm(m123,a7,c,c3,-0.287,0.167,0.001,-0.063).
atm(m123,a8,c,car,1.137,2.215,0.001,-0.106).
atm(m123,a9,c,car,2.378,2.829,0.001,-0.099).
atm(m123,a10,h,h,5.716,2.116,-0.003,0.051).
atm(m123,a11,h,h,4.938,3.445,-0.885,0.047).
atm(m123,a12,h,h,4.940,3.440,0.888,0.047).
atm(m123,a13,h,h,5.611,0.375,-0.002,0.051).
atm(m123,a14,h,h,4.681,-0.849,0.885,0.047).
atm(m123,a15,h,h,4.680,-0.849,-0.888,0.047).
atm(m123,a16,h,h,2.154,-1.033,-0.001,0.107).
atm(m123,a17,h,h,-0.216,-0.929,0.000,0.042).
atm(m123,a18,h,h,-0.866,0.461,0.887,0.046).
atm(m123,a19,h,h,-0.867,0.462,-0.885,0.046).
atm(m123,a20,h,h,0.222,2.818,0.002,0.105).
atm(m123,a21,h,h,2.445,3.923,0.001,0.103).
bond(m123,a1,a2,1).
bond(m123,a1,a10,1).
bond(m123,a1,a11,1).
bond(m123,a1,a12,1).
bond(m123,a2,a3,ar).
bond(m123,a2,a9,ar).
bond(m123,a3,a4,1).
bond(m123,a3,a5,ar).
bond(m123,a4,a13,1).
bond(m123,a4,a14,1).
bond(m123,a4,a15,1).
bond(m123,a5,a6,ar).
bond(m123,a5,a16,1).
bond(m123,a6,a7,1).
bond(m123,a6,a8,ar).
bond(m123,a7,a17,1).
bond(m123,a7,a18,1).
bond(m123,a7,a19,1).
bond(m123,a8,a9,ar).
bond(m123,a8,a20,1).
bond(m123,a9,a21,1).
atm(m124,a1,c,c3,4.852,0.000,0.000,-0.068).
atm(m124,a2,c,car,3.557,0.727,0.000,-0.061).
atm(m124,a3,c,car,2.362,0.005,0.001,-0.097).
atm(m124,a4,c,car,1.146,0.680,0.000,-0.128).
atm(m124,a5,cl,cl,-0.294,-0.187,0.002,0.090).
atm(m124,a6,c,car,1.117,2.076,-0.002,-0.142).
atm(m124,a7,cl,cl,-0.357,2.883,-0.002,0.091).
atm(m124,a8,c,car,2.307,2.797,-0.003,-0.087).
atm(m124,a9,c,car,3.523,2.123,-0.002,-0.093).
atm(m124,a10,h,h,5.713,0.682,0.002,0.046).
atm(m124,a11,h,h,4.938,-0.646,0.885,0.050).
atm(m124,a12,h,h,4.940,-0.642,-0.887,0.050).
atm(m124,a13,h,h,2.378,-1.091,0.002,0.121).
atm(m124,a14,h,h,2.278,3.893,-0.004,0.118).
atm(m124,a15,h,h,4.459,2.693,-0.003,0.111).
bond(m124,a1,a2,1).
bond(m124,a1,a10,1).
bond(m124,a1,a11,1).
bond(m124,a1,a12,1).
bond(m124,a2,a3,ar).
bond(m124,a2,a9,ar).
bond(m124,a3,a4,ar).
bond(m124,a3,a13,1).
bond(m124,a4,a5,1).
bond(m124,a4,a6,ar).
bond(m124,a6,a7,1).
bond(m124,a6,a8,ar).
bond(m124,a8,a9,ar).
bond(m124,a8,a14,1).
bond(m124,a9,a15,1).
atm(m125,a1,n,npl3,4.852,0.000,0.000,0.079).
atm(m125,a2,c,car,3.593,0.672,0.005,-0.066).
atm(m125,a3,c,car,2.430,-0.028,0.353,-0.143).
atm(m125,a4,c,car,1.197,0.607,0.251,-0.100).
atm(m125,a5,cl,cl,-0.203,-0.226,0.665,0.089).
atm(m125,a6,c,car,1.112,1.927,-0.190,-0.171).
atm(m125,a7,cl,cl,-0.386,2.680,-0.306,0.088).
atm(m125,a8,c,car,2.270,2.623,-0.533,-0.059).
atm(m125,a9,c,car,3.507,2.003,-0.435,-0.139).
atm(m125,a10,h,h,5.610,0.631,0.134,0.033).
atm(m125,a11,h,h,4.879,-0.746,0.659,0.034).
atm(m125,a12,h,h,2.471,-1.068,0.701,0.125).
atm(m125,a13,h,h,2.195,3.660,-0.879,0.116).
atm(m125,a14,h,h,4.411,2.560,-0.708,0.114).
bond(m125,a1,a2,1).
bond(m125,a1,a10,1).
bond(m125,a1,a11,1).
bond(m125,a2,a3,ar).
bond(m125,a2,a9,ar).
bond(m125,a3,a4,ar).
bond(m125,a3,a12,1).
bond(m125,a4,a5,1).
bond(m125,a4,a6,ar).
bond(m125,a6,a7,1).
bond(m125,a6,a8,ar).
bond(m125,a8,a9,ar).
bond(m125,a8,a13,1).
bond(m125,a9,a14,1).
atm(m126,a1,c,c2,1.211,3.487,0.000,-0.084).
atm(m126,a2,c,c2,1.189,2.151,0.000,-0.143).
atm(m126,a3,c,c3,-0.107,1.416,0.000,-0.073).
atm(m126,a4,c,c2,2.430,1.326,0.000,0.419).
atm(m126,a5,o,o2,2.510,0.112,0.000,-0.382).
atm(m126,a6,o,o3,3.586,2.053,0.000,-0.270).
atm(m126,a7,c,c3,4.830,1.349,0.000,0.110).
atm(m126,a8,c,c2,5.909,2.383,0.001,-0.155).
atm(m126,a9,c,c2,7.193,2.045,0.002,-0.158).
atm(m126,a10,h,h,2.118,4.085,0.000,0.096).
atm(m126,a11,h,h,0.293,4.071,0.000,0.083).
atm(m126,a12,h,h,0.018,0.325,0.000,0.069).
atm(m126,a13,h,h,-0.701,1.677,0.887,0.048).
atm(m126,a14,h,h,-0.702,1.678,-0.885,0.048).
atm(m126,a15,h,h,4.896,0.701,0.896,0.057).
atm(m126,a16,h,h,4.896,0.702,-0.896,0.057).
atm(m126,a17,h,h,5.600,3.437,0.000,0.113).
atm(m126,a18,h,h,7.991,2.781,0.002,0.083).
atm(m126,a19,h,h,7.537,1.014,0.002,0.083).
bond(m126,a1,a2,2).
bond(m126,a1,a10,1).
bond(m126,a1,a11,1).
bond(m126,a2,a3,1).
bond(m126,a2,a4,1).
bond(m126,a3,a12,1).
bond(m126,a3,a13,1).
bond(m126,a3,a14,1).
bond(m126,a4,a5,2).
bond(m126,a4,a6,1).
bond(m126,a6,a7,1).
bond(m126,a7,a8,1).
bond(m126,a7,a15,1).
bond(m126,a7,a16,1).
bond(m126,a8,a9,2).
bond(m126,a8,a17,1).
bond(m126,a9,a18,1).
bond(m126,a9,a19,1).
atm(m127,a1,br,br,3.500,2.425,0.000,-0.107).
atm(m127,a2,c,c3,1.543,2.425,0.023,-0.067).
atm(m127,a3,c,c3,1.171,0.987,0.006,-0.078).
atm(m127,a4,br,br,-0.703,0.980,-0.567,-0.134).
atm(m127,a5,c,c3,1.160,0.268,1.342,0.051).
atm(m127,a6,o,o3,0.432,0.922,2.341,-0.298).
atm(m127,a7,h,h,1.214,2.971,0.922,0.100).
atm(m127,a8,h,h,1.199,2.968,-0.872,0.093).
atm(m127,a9,h,h,1.748,0.418,-0.755,0.113).
atm(m127,a10,h,h,0.793,-0.767,1.198,0.051).
atm(m127,a11,h,h,2.181,0.223,1.763,0.081).
atm(m127,a12,h,h,-0.484,0.911,2.087,0.195).
bond(m127,a1,a2,1).
bond(m127,a2,a3,1).
bond(m127,a2,a7,1).
bond(m127,a2,a8,1).
bond(m127,a3,a4,1).
bond(m127,a3,a5,1).
bond(m127,a3,a9,1).
bond(m127,a5,a6,1).
bond(m127,a5,a10,1).
bond(m127,a5,a11,1).
bond(m127,a6,a12,1).
atm(m128,a1,c,c3,2.804,2.426,0.000,-0.100).
atm(m128,a2,c,c3,2.035,1.120,-0.060,-0.158).
atm(m128,a3,c,c2,2.418,0.150,1.043,0.270).
atm(m128,a4,o,o2,3.473,0.159,1.630,-0.310).
atm(m128,a5,c,c3,0.528,1.386,-0.015,-0.092).
atm(m128,a6,c,c3,-0.280,0.130,-0.256,-0.121).
atm(m128,a7,h,h,3.888,2.254,-0.024,0.055).
atm(m128,a8,h,h,2.552,3.073,-0.850,0.040).
atm(m128,a9,h,h,2.579,2.985,0.918,0.044).
atm(m128,a10,h,h,2.277,0.601,-1.022,0.083).
atm(m128,a11,h,h,1.647,-0.613,1.280,0.051).
atm(m128,a12,h,h,0.259,1.832,0.963,0.054).
atm(m128,a13,h,h,0.270,2.153,-0.773,0.056).
atm(m128,a14,h,h,0.013,-0.665,0.451,0.042).
atm(m128,a15,h,h,-1.354,0.314,-0.126,0.045).
atm(m128,a16,h,h,-0.132,-0.262,-1.270,0.041).
bond(m128,a1,a2,1).
bond(m128,a1,a7,1).
bond(m128,a1,a8,1).
bond(m128,a1,a9,1).
bond(m128,a2,a3,1).
bond(m128,a2,a5,1).
bond(m128,a2,a10,1).
bond(m128,a3,a4,2).
bond(m128,a3,a11,1).
bond(m128,a5,a6,1).
bond(m128,a5,a12,1).
bond(m128,a5,a13,1).
bond(m128,a6,a14,1).
bond(m128,a6,a15,1).
bond(m128,a6,a16,1).
atm(m129,a1,cl,cl,3.500,2.425,0.000,-0.049).
atm(m129,a2,c,c3,1.732,2.475,0.162,-0.108).
atm(m129,a3,c,c3,1.199,1.061,0.152,-0.101).
atm(m129,a4,cl,cl,-0.577,1.144,-0.008,-0.029).
atm(m129,a5,c,c3,1.531,0.299,1.413,-0.110).
atm(m129,a6,cl,cl,0.736,1.058,2.806,-0.037).
atm(m129,a7,h,h,1.472,2.999,1.102,0.089).
atm(m129,a8,h,h,1.315,3.065,-0.674,0.083).
atm(m129,a9,h,h,1.592,0.510,-0.734,0.097).
atm(m129,a10,h,h,1.192,-0.750,1.347,0.080).
atm(m129,a11,h,h,2.623,0.291,1.587,0.084).
bond(m129,a1,a2,1).
bond(m129,a2,a3,1).
bond(m129,a2,a7,1).
bond(m129,a2,a8,1).
bond(m129,a3,a4,1).
bond(m129,a3,a5,1).
bond(m129,a3,a9,1).
bond(m129,a5,a6,1).
bond(m129,a5,a10,1).
bond(m129,a5,a11,1).
atm(m12,a1,c,car,8.558,5.361,0.000,-0.447).
atm(m12,a2,n,n4,8.276,6.868,0.000,1.273).
atm(m12,a3,o,oco2,7.221,7.452,0.000,-0.498).
atm(m12,a4,o,oco2,9.216,7.637,0.000,-0.626).
atm(m12,a5,c,car,9.948,5.150,0.000,-0.020).
atm(m12,a6,c,car,10.534,3.900,0.000,-0.170).
atm(m12,a7,c,car,9.743,2.764,0.000,0.014).
atm(m12,a8,c,c3,10.318,1.370,0.000,-0.070).
atm(m12,a9,c,car,8.359,2.950,0.000,-0.244).
atm(m12,a10,c,car,7.717,4.197,0.000,0.377).
atm(m12,a11,o,o3,6.354,3.963,0.000,-0.699).
atm(m12,a12,p,p3,4.778,4.828,0.000,2.049).
atm(m12,a13,o,o2,5.712,6.053,0.000,-0.542).
atm(m12,a14,o,o3,3.653,3.352,0.000,-0.518).
atm(m12,a15,c,car,3.695,1.956,0.000,0.302).
atm(m12,a16,c,car,2.560,1.095,0.000,-0.473).
atm(m12,a17,n,n4,1.212,1.672,0.000,1.324).
atm(m12,a18,o,oco2,1.130,2.850,0.000,-0.589).
atm(m12,a19,o,oco2,0.185,1.020,0.000,-0.626).
atm(m12,a20,c,car,2.614,-0.289,0.000,0.016).
atm(m12,a21,c,car,3.858,-0.917,0.000,-0.159).
atm(m12,a22,c,car,5.005,-0.116,0.000,0.037).
atm(m12,a23,c,c3,6.376,-0.747,0.000,-0.086).
atm(m12,a24,c,car,4.905,1.272,0.000,-0.257).
atm(m12,a25,o,o3,3.651,6.235,0.000,-0.479).
atm(m12,a26,c,car,2.337,6.517,0.000,0.247).
atm(m12,a27,c,car,1.786,7.811,0.000,-0.461).
atm(m12,a28,n,n4,2.648,9.034,0.000,1.295).
atm(m12,a29,o,oco2,2.138,10.143,0.000,-0.633).
atm(m12,a30,o,oco2,3.862,8.975,0.000,-0.563).
atm(m12,a31,c,car,0.397,7.965,0.000,0.023).
atm(m12,a32,c,car,-0.430,6.849,0.000,-0.206).
atm(m12,a33,c,car,0.081,5.560,0.000,0.075).
atm(m12,a34,c,c3,-0.965,4.467,0.000,-0.109).
atm(m12,a35,c,car,1.468,5.441,0.000,-0.276).
atm(m12,a36,h,h,10.632,6.012,0.000,0.146).
atm(m12,a37,h,h,11.637,3.839,0.000,0.118).
atm(m12,a38,h,h,11.432,1.360,0.000,0.051).
atm(m12,a39,h,h,9.987,0.799,0.896,0.048).
atm(m12,a40,h,h,9.987,0.799,-0.896,0.048).
atm(m12,a41,h,h,7.759,2.034,0.000,0.116).
atm(m12,a42,h,h,1.695,-0.904,0.000,0.143).
atm(m12,a43,h,h,3.917,-2.011,0.000,0.125).
atm(m12,a44,h,h,7.159,0.038,0.000,0.052).
atm(m12,a45,h,h,6.534,-1.375,0.901,0.061).
atm(m12,a46,h,h,6.534,-1.375,-0.901,0.061).
atm(m12,a47,h,h,5.825,1.869,0.000,0.158).
atm(m12,a48,h,h,-0.072,8.962,0.000,0.130).
atm(m12,a49,h,h,-1.524,6.968,0.000,0.115).
atm(m12,a50,h,h,-0.670,3.409,0.000,0.097).
atm(m12,a51,h,h,-1.596,4.570,0.904,0.046).
atm(m12,a52,h,h,-1.596,4.570,-0.904,0.046).
atm(m12,a53,h,h,1.968,4.485,0.000,0.158).
bond(m12,a1,a2,1).
bond(m12,a1,a5,ar).
bond(m12,a1,a10,ar).
bond(m12,a2,a3,2).
bond(m12,a2,a4,1).
bond(m12,a5,a6,ar).
bond(m12,a5,a36,1).
bond(m12,a6,a7,ar).
bond(m12,a6,a37,1).
bond(m12,a7,a8,1).
bond(m12,a7,a9,ar).
bond(m12,a8,a38,1).
bond(m12,a8,a39,1).
bond(m12,a8,a40,1).
bond(m12,a9,a10,ar).
bond(m12,a9,a41,1).
bond(m12,a10,a11,1).
bond(m12,a11,a12,1).
bond(m12,a12,a13,2).
bond(m12,a12,a14,1).
bond(m12,a12,a25,1).
bond(m12,a14,a15,1).
bond(m12,a15,a16,ar).
bond(m12,a15,a24,ar).
bond(m12,a16,a17,1).
bond(m12,a16,a20,ar).
bond(m12,a17,a18,2).
bond(m12,a17,a19,1).
bond(m12,a20,a21,ar).
bond(m12,a20,a42,1).
bond(m12,a21,a22,ar).
bond(m12,a21,a43,1).
bond(m12,a22,a23,1).
bond(m12,a22,a24,ar).
bond(m12,a23,a44,1).
bond(m12,a23,a45,1).
bond(m12,a23,a46,1).
bond(m12,a24,a47,1).
bond(m12,a25,a26,1).
bond(m12,a26,a27,ar).
bond(m12,a26,a35,ar).
bond(m12,a27,a28,1).
bond(m12,a27,a31,ar).
bond(m12,a28,a29,2).
bond(m12,a28,a30,1).
bond(m12,a31,a32,ar).
bond(m12,a31,a48,1).
bond(m12,a32,a33,ar).
bond(m12,a32,a49,1).
bond(m12,a33,a34,1).
bond(m12,a33,a35,ar).
bond(m12,a34,a50,1).
bond(m12,a34,a51,1).
bond(m12,a34,a52,1).
bond(m12,a35,a53,1).
atm(m130,a1,c,c3,3.500,2.425,0.000,-0.110).
atm(m130,a2,c,c3,1.988,2.422,0.040,-0.148).
atm(m130,a3,c,c2,1.437,1.061,-0.346,0.273).
atm(m130,a4,o,o2,1.136,0.235,0.493,-0.308).
atm(m130,a5,c,c3,1.270,0.785,-1.830,-0.148).
atm(m130,a6,c,c3,2.563,0.290,-2.437,-0.110).
atm(m130,a7,h,h,3.898,3.429,0.196,0.043).
atm(m130,a8,h,h,3.927,1.749,0.752,0.049).
atm(m130,a9,h,h,3.877,2.102,-0.985,0.048).
atm(m130,a10,h,h,1.636,2.708,1.051,0.073).
atm(m130,a11,h,h,1.582,3.191,-0.647,0.062).
atm(m130,a12,h,h,0.465,0.041,-1.996,0.073).
atm(m130,a13,h,h,0.933,1.709,-2.340,0.062).
atm(m130,a14,h,h,2.860,-0.682,-2.022,0.049).
atm(m130,a15,h,h,2.469,0.169,-3.524,0.043).
atm(m130,a16,h,h,3.391,0.994,-2.250,0.048).
bond(m130,a1,a2,1).
bond(m130,a1,a7,1).
bond(m130,a1,a8,1).
bond(m130,a1,a9,1).
bond(m130,a2,a3,1).
bond(m130,a2,a10,1).
bond(m130,a2,a11,1).
bond(m130,a3,a4,2).
bond(m130,a3,a5,1).
bond(m130,a5,a6,1).
bond(m130,a5,a12,1).
bond(m130,a5,a13,1).
bond(m130,a6,a14,1).
bond(m130,a6,a15,1).
bond(m130,a6,a16,1).
atm(m131,a1,c,c3,4.204,0.000,0.000,-0.104).
atm(m131,a2,c,c3,3.464,1.317,-0.010,-0.053).
atm(m131,a3,c,c2,1.964,1.232,-0.013,-0.076).
atm(m131,a4,c,c3,1.238,2.538,-0.064,-0.092).
atm(m131,a5,n,n2,1.385,0.067,0.027,-0.039).
atm(m131,a6,o,o3,-0.016,0.038,0.022,-0.262).
atm(m131,a7,h,h,5.290,0.169,0.001,0.035).
atm(m131,a8,h,h,3.966,-0.600,0.888,0.048).
atm(m131,a9,h,h,3.969,-0.611,-0.881,0.047).
atm(m131,a10,h,h,3.761,1.922,0.872,0.058).
atm(m131,a11,h,h,3.766,1.911,-0.897,0.057).
atm(m131,a12,h,h,1.930,3.390,-0.010,0.048).
atm(m131,a13,h,h,0.667,2.636,-0.998,0.059).
atm(m131,a14,h,h,0.527,2.639,0.768,0.060).
atm(m131,a15,h,h,-0.171,-0.899,0.060,0.213).
bond(m131,a1,a2,1).
bond(m131,a1,a7,1).
bond(m131,a1,a8,1).
bond(m131,a1,a9,1).
bond(m131,a2,a3,1).
bond(m131,a2,a10,1).
bond(m131,a2,a11,1).
bond(m131,a3,a4,1).
bond(m131,a3,a5,2).
bond(m131,a4,a12,1).
bond(m131,a4,a13,1).
bond(m131,a4,a14,1).
bond(m131,a5,a6,1).
bond(m131,a6,a15,1).
atm(m132,a1,o,o3,3.503,0.000,0.000,-0.303).
atm(m132,a2,c,c3,4.141,1.256,-0.007,0.023).
atm(m132,a3,c,c3,3.035,2.321,-0.059,-0.084).
atm(m132,a4,n,n3,3.495,3.735,-0.074,-0.087).
atm(m132,a5,c,c3,4.034,4.203,1.245,-0.033).
atm(m132,a6,c,c3,3.813,5.699,1.439,-0.127).
atm(m132,a7,c,c3,5.488,3.856,1.548,-0.162).
atm(m132,a8,c,c3,4.108,4.150,-1.378,-0.033).
atm(m132,a9,c,c3,3.900,5.637,-1.644,-0.127).
atm(m132,a10,c,c3,5.577,3.794,-1.584,-0.162).
atm(m132,a11,h,h,4.192,-0.649,0.036,0.185).
atm(m132,a12,h,h,4.773,1.382,0.902,0.033).
atm(m132,a13,h,h,4.824,1.347,-0.882,0.033).
atm(m132,a14,h,h,2.407,2.172,-0.961,0.068).
atm(m132,a15,h,h,2.356,2.207,0.812,0.067).
atm(m132,a16,h,h,3.396,3.672,2.000,0.063).
atm(m132,a17,h,h,4.459,6.302,0.780,0.049).
atm(m132,a18,h,h,4.037,5.989,2.474,0.039).
atm(m132,a19,h,h,2.775,5.990,1.230,0.052).
atm(m132,a20,h,h,5.671,2.771,1.471,0.048).
atm(m132,a21,h,h,6.189,4.358,0.861,0.055).
atm(m132,a22,h,h,5.753,4.163,2.568,0.048).
atm(m132,a23,h,h,3.514,3.590,-2.146,0.063).
atm(m132,a24,h,h,4.509,6.267,-0.974,0.049).
atm(m132,a25,h,h,2.852,5.935,-1.506,0.052).
atm(m132,a26,h,h,4.183,5.887,-2.675,0.039).
atm(m132,a27,h,h,5.754,2.713,-1.453,0.048).
atm(m132,a28,h,h,5.900,4.060,-2.598,0.048).
atm(m132,a29,h,h,6.239,4.324,-0.879,0.055).
bond(m132,a1,a2,1).
bond(m132,a1,a11,1).
bond(m132,a2,a3,1).
bond(m132,a2,a12,1).
bond(m132,a2,a13,1).
bond(m132,a3,a4,1).
bond(m132,a3,a14,1).
bond(m132,a3,a15,1).
bond(m132,a4,a5,1).
bond(m132,a4,a8,1).
bond(m132,a5,a6,1).
bond(m132,a5,a7,1).
bond(m132,a5,a16,1).
bond(m132,a6,a17,1).
bond(m132,a6,a18,1).
bond(m132,a6,a19,1).
bond(m132,a7,a20,1).
bond(m132,a7,a21,1).
bond(m132,a7,a22,1).
bond(m132,a8,a9,1).
bond(m132,a8,a10,1).
bond(m132,a8,a23,1).
bond(m132,a9,a24,1).
bond(m132,a9,a25,1).
bond(m132,a9,a26,1).
bond(m132,a10,a27,1).
bond(m132,a10,a28,1).
bond(m132,a10,a29,1).
atm(m133,a1,n,npl3,6.066,4.202,0.000,0.118).
atm(m133,a2,c,car,4.828,3.580,0.000,0.090).
atm(m133,a3,c,car,4.689,2.178,0.193,-0.538).
atm(m133,a4,n,n4,5.869,1.276,0.223,1.331).
atm(m133,a5,o,oco2,6.973,1.749,-0.023,-0.638).
atm(m133,a6,o,oco2,5.740,0.100,0.473,-0.572).
atm(m133,a7,c,car,3.407,1.627,0.338,0.138).
atm(m133,a8,c,car,2.274,2.430,0.266,-0.501).
atm(m133,a9,n,n4,0.913,1.836,0.425,1.322).
atm(m133,a10,o,oco2,-0.062,2.559,0.354,-0.604).
atm(m133,a11,o,oco2,0.802,0.642,0.621,-0.598).
atm(m133,a12,c,car,2.412,3.816,0.033,0.085).
atm(m133,a13,c,car,3.657,4.376,-0.102,-0.227).
atm(m133,a14,h,h,6.861,3.606,-0.138,0.117).
atm(m133,a15,h,h,6.105,5.103,-0.410,0.058).
atm(m133,a16,h,h,3.299,0.540,0.508,0.155).
atm(m133,a17,h,h,1.519,4.455,-0.040,0.133).
atm(m133,a18,h,h,3.744,5.455,-0.285,0.129).
bond(m133,a1,a2,1).
bond(m133,a1,a14,1).
bond(m133,a1,a15,1).
bond(m133,a2,a3,ar).
bond(m133,a2,a13,ar).
bond(m133,a3,a4,1).
bond(m133,a3,a7,ar).
bond(m133,a4,a5,2).
bond(m133,a4,a6,1).
bond(m133,a7,a8,ar).
bond(m133,a7,a16,1).
bond(m133,a8,a9,1).
bond(m133,a8,a12,ar).
bond(m133,a9,a10,2).
bond(m133,a9,a11,1).
bond(m133,a12,a13,ar).
bond(m133,a12,a17,1).
bond(m133,a13,a18,1).
atm(m134,a1,o,o3,4.848,0.000,0.000,-0.229).
atm(m134,a2,c,car,3.640,0.637,0.058,0.113).
atm(m134,a3,c,car,2.515,-0.204,0.034,-0.134).
atm(m134,a4,c,car,1.247,0.353,0.094,-0.064).
atm(m134,a5,c,car,1.105,1.737,0.182,-0.166).
atm(m134,a6,cl,cl,-0.442,2.408,0.263,0.065).
atm(m134,a7,c,car,2.214,2.574,0.206,-0.059).
atm(m134,a8,c,car,3.500,2.035,0.139,-0.165).
atm(m134,a9,c,c3,4.688,2.942,0.185,0.016).
atm(m134,a10,c,car,5.078,3.538,-1.132,-0.109).
atm(m134,a11,c,car,4.297,3.383,-2.275,-0.068).
atm(m134,a12,c,car,4.688,3.961,-3.480,-0.158).
atm(m134,a13,cl,cl,3.722,3.753,-4.847,0.069).
atm(m134,a14,c,car,5.859,4.706,-3.575,-0.063).
atm(m134,a15,c,car,6.652,4.878,-2.449,-0.181).
atm(m134,a16,c,car,6.263,4.298,-1.233,0.094).
atm(m134,a17,o,o3,7.009,4.436,-0.094,-0.229).
atm(m134,a18,h,h,5.527,0.663,0.090,0.207).
atm(m134,a19,h,h,2.641,-1.291,-0.031,0.125).
atm(m134,a20,h,h,0.358,-0.287,0.076,0.116).
atm(m134,a21,h,h,2.078,3.660,0.279,0.121).
atm(m134,a22,h,h,4.495,3.766,0.903,0.076).
atm(m134,a23,h,h,5.563,2.385,0.595,0.058).
atm(m134,a24,h,h,3.365,2.803,-2.227,0.132).
atm(m134,a25,h,h,6.149,5.153,-4.533,0.117).
atm(m134,a26,h,h,7.575,5.465,-2.519,0.114).
atm(m134,a27,h,h,7.766,4.969,-0.305,0.202).
bond(m134,a1,a2,1).
bond(m134,a1,a18,1).
bond(m134,a2,a3,ar).
bond(m134,a2,a8,ar).
bond(m134,a3,a4,ar).
bond(m134,a3,a19,1).
bond(m134,a4,a5,ar).
bond(m134,a4,a20,1).
bond(m134,a5,a6,1).
bond(m134,a5,a7,ar).
bond(m134,a7,a8,ar).
bond(m134,a7,a21,1).
bond(m134,a8,a9,1).
bond(m134,a9,a10,1).
bond(m134,a9,a22,1).
bond(m134,a9,a23,1).
bond(m134,a10,a11,ar).
bond(m134,a10,a16,ar).
bond(m134,a11,a12,ar).
bond(m134,a11,a24,1).
bond(m134,a12,a13,1).
bond(m134,a12,a14,ar).
bond(m134,a14,a15,ar).
bond(m134,a14,a25,1).
bond(m134,a15,a16,ar).
bond(m134,a15,a26,1).
bond(m134,a16,a17,1).
bond(m134,a17,a27,1).
atm(m135,a1,c,c3,4.200,2.800,0.000,-0.258).
atm(m135,a2,n,n4,4.201,1.282,0.015,0.724).
atm(m135,a3,c,car,2.811,0.738,0.169,-0.317).
atm(m135,a4,c,car,2.487,-0.515,-0.366,-0.060).
atm(m135,a5,c,car,1.207,-1.027,-0.194,-0.071).
atm(m135,a6,c,car,0.249,-0.304,0.512,-0.021).
atm(m135,a7,c,car,0.576,0.936,1.055,-0.071).
atm(m135,a8,c,car,1.852,1.459,0.891,-0.060).
atm(m135,a9,c,c3,5.030,0.797,1.192,-0.249).
atm(m135,a10,c,c3,4.840,0.803,-1.275,-0.258).
atm(m135,a11,h,h,5.227,3.199,0.008,0.109).
atm(m135,a12,h,h,3.691,3.191,-0.897,0.113).
atm(m135,a13,h,h,3.667,3.206,0.881,0.112).
atm(m135,a14,h,h,3.237,-1.101,-0.923,0.124).
atm(m135,a15,h,h,0.955,-2.007,-0.618,0.134).
atm(m135,a16,h,h,-0.761,-0.712,0.642,0.131).
atm(m135,a17,h,h,-0.175,1.506,1.617,0.134).
atm(m135,a18,h,h,2.099,2.440,1.331,0.124).
atm(m135,a19,h,h,4.599,1.144,2.146,0.110).
atm(m135,a20,h,h,5.059,-0.305,1.224,0.110).
atm(m135,a21,h,h,6.068,1.163,1.135,0.106).
atm(m135,a22,h,h,5.899,1.106,-1.331,0.109).
atm(m135,a23,h,h,4.793,-0.300,-1.355,0.112).
atm(m135,a24,h,h,4.322,1.216,-2.156,0.113).
bond(m135,a1,a2,1).
bond(m135,a1,a11,1).
bond(m135,a1,a12,1).
bond(m135,a1,a13,1).
bond(m135,a2,a3,1).
bond(m135,a2,a9,1).
bond(m135,a2,a10,1).
bond(m135,a3,a4,ar).
bond(m135,a3,a8,ar).
bond(m135,a4,a5,ar).
bond(m135,a4,a14,1).
bond(m135,a5,a6,ar).
bond(m135,a5,a15,1).
bond(m135,a6,a7,ar).
bond(m135,a6,a16,1).
bond(m135,a7,a8,ar).
bond(m135,a7,a17,1).
bond(m135,a8,a18,1).
bond(m135,a9,a19,1).
bond(m135,a9,a20,1).
bond(m135,a9,a21,1).
bond(m135,a10,a22,1).
bond(m135,a10,a23,1).
bond(m135,a10,a24,1).
atm(m136,a1,o,o3,0.000,1.400,0.000,-0.227).
atm(m136,a2,c,car,1.353,1.515,-0.174,0.094).
atm(m136,a3,c,car,2.178,2.235,0.699,-0.191).
atm(m136,a4,c,car,3.541,2.300,0.442,-0.067).
atm(m136,a5,c,car,4.095,1.666,-0.671,-0.108).
atm(m136,a6,c,c3,5.590,1.710,-0.918,0.011).
atm(m136,a7,c,c3,6.217,0.516,-0.194,-0.113).
atm(m136,a8,c,c3,5.906,1.617,-2.412,-0.119).
atm(m136,a9,c,c3,6.202,3.005,-0.380,-0.119).
atm(m136,a10,c,car,3.256,0.944,-1.526,-0.072).
atm(m136,a11,c,car,1.891,0.863,-1.292,-0.139).
atm(m136,a12,h,h,-0.233,1.882,0.784,0.196).
atm(m136,a13,h,h,1.764,2.743,1.577,0.110).
atm(m136,a14,h,h,4.203,2.858,1.122,0.112).
atm(m136,a15,h,h,6.023,0.560,0.886,0.043).
atm(m136,a16,h,h,5.808,-0.433,-0.566,0.044).
atm(m136,a17,h,h,7.305,0.488,-0.335,0.041).
atm(m136,a18,h,h,6.986,1.525,-2.584,0.044).
atm(m136,a19,h,h,5.414,0.743,-2.869,0.046).
atm(m136,a20,h,h,5.556,2.507,-2.953,0.046).
atm(m136,a21,h,h,7.297,2.983,-0.445,0.044).
atm(m136,a22,h,h,5.851,3.879,-0.945,0.046).
atm(m136,a23,h,h,5.929,3.166,0.675,0.045).
atm(m136,a24,h,h,3.697,0.435,-2.397,0.113).
atm(m136,a25,h,h,1.243,0.298,-1.970,0.121).
bond(m136,a1,a2,1).
bond(m136,a1,a12,1).
bond(m136,a2,a3,ar).
bond(m136,a2,a11,ar).
bond(m136,a3,a4,ar).
bond(m136,a3,a13,1).
bond(m136,a4,a5,ar).
bond(m136,a4,a14,1).
bond(m136,a5,a6,1).
bond(m136,a5,a10,ar).
bond(m136,a6,a7,1).
bond(m136,a6,a8,1).
bond(m136,a6,a9,1).
bond(m136,a7,a15,1).
bond(m136,a7,a16,1).
bond(m136,a7,a17,1).
bond(m136,a8,a18,1).
bond(m136,a8,a19,1).
bond(m136,a8,a20,1).
bond(m136,a9,a21,1).
bond(m136,a9,a22,1).
bond(m136,a9,a23,1).
bond(m136,a10,a11,ar).
bond(m136,a10,a24,1).
bond(m136,a11,a25,1).
atm(m137,a1,c,car,2.795,2.423,0.000,-0.100).
atm(m137,a2,c,car,4.186,2.424,-0.002,-0.101).
atm(m137,a3,c,car,4.885,1.222,-0.008,-0.106).
atm(m137,a4,c,car,4.189,0.018,-0.012,-0.101).
atm(m137,a5,c,car,2.799,0.014,-0.009,-0.098).
atm(m137,a6,c,car,2.091,1.218,-0.004,-0.074).
atm(m137,a7,c,c3,0.586,1.237,-0.002,-0.028).
atm(m137,a8,c,c3,0.038,0.566,1.249,-0.111).
atm(m137,a9,c,c3,0.034,0.577,-1.256,-0.111).
atm(m137,a10,h,h,2.251,3.375,0.004,0.105).
atm(m137,a11,h,h,4.730,3.374,0.001,0.102).
atm(m137,a12,h,h,5.979,1.223,-0.009,0.102).
atm(m137,a13,h,h,4.736,-0.930,-0.016,0.102).
atm(m137,a14,h,h,2.256,-0.939,-0.012,0.108).
atm(m137,a15,h,h,0.247,2.303,0.004,0.063).
atm(m137,a16,h,h,0.416,1.049,2.159,0.043).
atm(m137,a17,h,h,-1.059,0.619,1.275,0.040).
atm(m137,a18,h,h,0.316,-0.495,1.299,0.042).
atm(m137,a19,h,h,0.410,1.068,-2.163,0.043).
atm(m137,a20,h,h,0.313,-0.484,-1.317,0.042).
atm(m137,a21,h,h,-1.062,0.630,-1.279,0.040).
bond(m137,a1,a2,ar).
bond(m137,a1,a6,ar).
bond(m137,a1,a10,1).
bond(m137,a2,a3,ar).
bond(m137,a2,a11,1).
bond(m137,a3,a4,ar).
bond(m137,a3,a12,1).
bond(m137,a4,a5,ar).
bond(m137,a4,a13,1).
bond(m137,a5,a6,ar).
bond(m137,a5,a14,1).
bond(m137,a6,a7,1).
bond(m137,a7,a8,1).
bond(m137,a7,a9,1).
bond(m137,a7,a15,1).
bond(m137,a8,a16,1).
bond(m137,a8,a17,1).
bond(m137,a8,a18,1).
bond(m137,a9,a19,1).
bond(m137,a9,a20,1).
bond(m137,a9,a21,1).
atm(m138,a1,c,car,2.795,2.423,0.000,-0.069).
atm(m138,a2,c,car,4.184,2.427,0.000,-0.117).
atm(m138,a3,c,car,4.885,1.225,0.000,-0.073).
atm(m138,a4,c,car,4.191,0.021,0.000,-0.118).
atm(m138,a5,c,car,2.800,0.015,0.000,-0.042).
atm(m138,a6,c,car,2.088,1.218,0.000,-0.164).
atm(m138,a7,c,c2,0.594,1.191,0.000,0.329).
atm(m138,a8,o,o2,-0.016,0.135,0.000,-0.325).
atm(m138,a9,c,c3,-0.159,2.498,-0.001,-0.172).
atm(m138,a10,h,h,2.246,3.377,0.000,0.111).
atm(m138,a11,h,h,4.727,3.378,0.000,0.106).
atm(m138,a12,h,h,5.980,1.229,0.000,0.104).
atm(m138,a13,h,h,4.739,-0.927,0.000,0.108).
atm(m138,a14,h,h,2.261,-0.941,0.000,0.123).
atm(m138,a15,h,h,0.505,3.376,-0.001,0.059).
atm(m138,a16,h,h,-0.804,2.573,-0.886,0.069).
atm(m138,a17,h,h,-0.805,2.574,0.883,0.069).
bond(m138,a1,a2,ar).
bond(m138,a1,a6,ar).
bond(m138,a1,a10,1).
bond(m138,a2,a3,ar).
bond(m138,a2,a11,1).
bond(m138,a3,a4,ar).
bond(m138,a3,a12,1).
bond(m138,a4,a5,ar).
bond(m138,a4,a13,1).
bond(m138,a5,a6,ar).
bond(m138,a5,a14,1).
bond(m138,a6,a7,1).
bond(m138,a7,a8,2).
bond(m138,a7,a9,1).
bond(m138,a9,a15,1).
bond(m138,a9,a16,1).
bond(m138,a9,a17,1).
atm(m139,a1,c,car,2.795,2.423,0.000,-0.007).
atm(m139,a2,c,car,4.185,2.431,0.000,-0.124).
atm(m139,a3,c,car,4.893,1.233,0.000,-0.039).
atm(m139,a4,c,car,4.210,0.022,0.000,-0.124).
atm(m139,a5,c,car,2.820,0.000,0.000,-0.007).
atm(m139,a6,c,car,2.106,1.204,0.000,-0.410).
atm(m139,a7,n,n4,0.609,1.189,0.000,1.306).
atm(m139,a8,o,oco2,0.022,0.125,0.000,-0.600).
atm(m139,a9,o,oco2,0.000,2.241,0.000,-0.600).
atm(m139,a10,h,h,2.249,3.377,0.000,0.133).
atm(m139,a11,h,h,4.722,3.385,0.000,0.116).
atm(m139,a12,h,h,5.989,1.245,0.000,0.108).
atm(m139,a13,h,h,4.767,-0.922,0.000,0.116).
atm(m139,a14,h,h,2.294,-0.965,0.000,0.133).
bond(m139,a1,a2,ar).
bond(m139,a1,a6,ar).
bond(m139,a1,a10,1).
bond(m139,a2,a3,ar).
bond(m139,a2,a11,1).
bond(m139,a3,a4,ar).
bond(m139,a3,a12,1).
bond(m139,a4,a5,ar).
bond(m139,a4,a13,1).
bond(m139,a5,a6,ar).
bond(m139,a5,a14,1).
bond(m139,a6,a7,1).
bond(m139,a7,a8,2).
bond(m139,a7,a9,1).
atm(m13,a1,c,car,5.885,2.894,1.241,0.071).
atm(m13,a2,c,car,5.704,1.525,1.017,-0.423).
atm(m13,a3,n,n4,6.749,0.558,1.469,1.297).
atm(m13,a4,o,oco2,6.615,-0.636,1.288,-0.597).
atm(m13,a5,o,oco2,7.753,0.946,2.032,-0.592).
atm(m13,a6,c,car,4.557,1.051,0.371,0.022).
atm(m13,a7,c,car,3.595,1.961,-0.062,-0.137).
atm(m13,a8,c,car,3.775,3.327,0.160,-0.008).
atm(m13,a9,c,car,4.903,3.802,0.837,-0.508).
atm(m13,a10,p,p3,5.157,5.607,1.073,1.904).
atm(m13,a11,o,o2,5.987,5.852,2.376,-0.826).
atm(m13,a12,c,car,6.064,6.254,-0.391,-0.512).
atm(m13,a13,c,car,5.556,6.043,-1.675,0.026).
atm(m13,a14,c,car,6.239,6.543,-2.788,-0.421).
atm(m13,a15,n,n4,5.690,6.308,-4.157,1.301).
atm(m13,a16,o,oco2,4.659,5.685,-4.313,-0.605).
atm(m13,a17,o,oco2,6.265,6.729,-5.141,-0.590).
atm(m13,a18,c,car,7.428,7.262,-2.633,0.025).
atm(m13,a19,c,car,7.931,7.479,-1.351,-0.139).
atm(m13,a20,c,car,7.249,6.982,-0.239,0.040).
atm(m13,a21,c,car,3.537,6.451,1.285,-0.495).
atm(m13,a22,c,car,3.209,7.585,0.539,0.036).
atm(m13,a23,c,car,1.967,8.204,0.721,-0.419).
atm(m13,a24,n,n4,1.614,9.404,-0.096,1.299).
atm(m13,a25,o,oco2,2.391,9.846,-0.918,-0.600).
atm(m13,a26,o,oco2,0.542,9.957,0.042,-0.592).
atm(m13,a27,c,car,1.054,7.712,1.658,0.020).
atm(m13,a28,c,car,1.395,6.596,2.421,-0.137).
atm(m13,a29,c,car,2.630,5.976,2.237,0.025).
atm(m13,a30,h,h,6.800,3.260,1.734,0.150).
atm(m13,a31,h,h,4.410,-0.028,0.190,0.137).
atm(m13,a32,h,h,2.695,1.603,-0.590,0.123).
atm(m13,a33,h,h,7.971,7.661,-3.507,0.137).
atm(m13,a34,h,h,8.867,8.049,-1.214,0.125).
atm(m13,a35,h,h,0.072,8.194,1.805,0.137).
atm(m13,a36,h,h,0.687,6.202,3.171,0.122).
atm(m13,a37,h,h,2.887,5.095,2.849,0.113).
atm(m13,a38,h,h,3.011,4.033,-0.207,0.103).
atm(m13,a39,h,h,4.616,5.481,-1.806,0.123).
atm(m13,a40,h,h,7.659,7.168,0.767,0.134).
atm(m13,a41,h,h,3.925,7.987,-0.197,0.131).
bond(m13,a1,a2,ar).
bond(m13,a1,a9,ar).
bond(m13,a1,a30,1).
bond(m13,a2,a3,1).
bond(m13,a2,a6,ar).
bond(m13,a3,a4,2).
bond(m13,a3,a5,1).
bond(m13,a6,a7,ar).
bond(m13,a6,a31,1).
bond(m13,a7,a8,ar).
bond(m13,a7,a32,1).
bond(m13,a8,a9,ar).
bond(m13,a8,a38,1).
bond(m13,a9,a10,1).
bond(m13,a10,a11,2).
bond(m13,a10,a12,1).
bond(m13,a10,a21,1).
bond(m13,a12,a13,ar).
bond(m13,a12,a20,ar).
bond(m13,a13,a14,ar).
bond(m13,a13,a39,1).
bond(m13,a14,a15,1).
bond(m13,a14,a18,ar).
bond(m13,a15,a16,2).
bond(m13,a15,a17,1).
bond(m13,a18,a19,ar).
bond(m13,a18,a33,1).
bond(m13,a19,a20,ar).
bond(m13,a19,a34,1).
bond(m13,a20,a40,1).
bond(m13,a21,a22,ar).
bond(m13,a21,a29,ar).
bond(m13,a22,a23,ar).
bond(m13,a22,a41,1).
bond(m13,a23,a24,1).
bond(m13,a23,a27,ar).
bond(m13,a24,a25,2).
bond(m13,a24,a26,1).
bond(m13,a27,a28,ar).
bond(m13,a27,a35,1).
bond(m13,a28,a29,ar).
bond(m13,a28,a36,1).
bond(m13,a29,a37,1).
atm(m140,a1,c,car,2.795,0.000,0.000,-0.110).
atm(m140,a2,c,car,2.086,1.203,0.028,-0.133).
atm(m140,a3,c,c2,0.593,1.186,-0.008,0.326).
atm(m140,a4,o,o2,-0.047,2.079,-0.533,-0.317).
atm(m140,a5,c,c3,-0.077,0.006,0.643,-0.172).
atm(m140,a6,c,car,2.770,2.415,0.076,-0.091).
atm(m140,a7,c,car,4.173,2.422,0.102,-0.089).
atm(m140,a8,n,npl3,4.876,3.655,0.266,0.074).
atm(m140,a9,c,car,4.879,1.211,0.065,-0.125).
atm(m140,a10,c,car,4.184,0.009,0.015,-0.079).
atm(m140,a11,h,h,2.236,-0.947,-0.029,0.112).
atm(m140,a12,h,h,0.473,-0.923,0.418,0.063).
atm(m140,a13,h,h,-0.080,0.132,1.733,0.068).
atm(m140,a14,h,h,-1.117,-0.124,0.318,0.068).
atm(m140,a15,h,h,2.203,3.355,0.087,0.125).
atm(m140,a16,h,h,5.789,3.613,-0.130,0.031).
atm(m140,a17,h,h,4.360,4.425,-0.098,0.034).
atm(m140,a18,h,h,5.975,1.202,0.078,0.111).
atm(m140,a19,h,h,4.735,-0.937,-0.013,0.104).
bond(m140,a1,a2,ar).
bond(m140,a1,a10,ar).
bond(m140,a1,a11,1).
bond(m140,a2,a3,1).
bond(m140,a2,a6,ar).
bond(m140,a3,a4,2).
bond(m140,a3,a5,1).
bond(m140,a5,a12,1).
bond(m140,a5,a13,1).
bond(m140,a5,a14,1).
bond(m140,a6,a7,ar).
bond(m140,a6,a15,1).
bond(m140,a7,a8,1).
bond(m140,a7,a9,ar).
bond(m140,a8,a16,1).
bond(m140,a8,a17,1).
bond(m140,a9,a10,ar).
bond(m140,a9,a18,1).
bond(m140,a10,a19,1).
atm(m141,a1,c,c3,0.000,3.632,0.000,-0.067).
atm(m141,a2,c,car,0.739,2.343,0.000,-0.093).
atm(m141,a3,c,car,2.132,2.326,0.000,-0.012).
atm(m141,a4,c,car,2.817,1.105,0.000,-0.404).
atm(m141,a5,n,n4,4.314,1.087,0.000,1.306).
atm(m141,a6,o,oco2,4.900,0.022,0.000,-0.600).
atm(m141,a7,o,oco2,4.925,2.138,-0.001,-0.600).
atm(m141,a8,c,car,2.102,-0.098,0.001,-0.015).
atm(m141,a9,c,car,0.713,-0.072,0.001,-0.119).
atm(m141,a10,c,car,0.031,1.139,0.001,-0.045).
atm(m141,a11,h,h,0.673,4.500,0.003,0.052).
atm(m141,a12,h,h,-0.642,3.713,-0.888,0.052).
atm(m141,a13,h,h,-0.647,3.711,0.884,0.052).
atm(m141,a14,h,h,2.684,3.278,0.000,0.136).
atm(m141,a15,h,h,2.626,-1.064,0.001,0.133).
atm(m141,a16,h,h,0.153,-1.014,0.001,0.115).
atm(m141,a17,h,h,-1.065,1.154,0.001,0.110).
bond(m141,a1,a2,1).
bond(m141,a1,a11,1).
bond(m141,a1,a12,1).
bond(m141,a1,a13,1).
bond(m141,a2,a3,ar).
bond(m141,a2,a10,ar).
bond(m141,a3,a4,ar).
bond(m141,a3,a14,1).
bond(m141,a4,a5,1).
bond(m141,a4,a8,ar).
bond(m141,a5,a6,2).
bond(m141,a5,a7,1).
bond(m141,a8,a9,ar).
bond(m141,a8,a15,1).
bond(m141,a9,a10,ar).
bond(m141,a9,a16,1).
bond(m141,a10,a17,1).
atm(m142,a1,c,c3,0.000,2.421,0.000,-0.103).
atm(m142,a2,n,npl3,0.757,1.152,-0.098,0.022).
atm(m142,a3,c,c3,-0.148,-0.020,-0.126,-0.103).
atm(m142,a4,c,car,1.926,1.037,0.749,-0.046).
atm(m142,a5,c,car,2.608,2.184,1.181,-0.148).
atm(m142,a6,c,car,3.786,2.071,1.905,-0.074).
atm(m142,a7,c,car,4.313,0.817,2.214,-0.108).
atm(m142,a8,c,c3,5.582,0.703,2.977,-0.058).
atm(m142,a9,c,car,3.641,-0.326,1.781,-0.074).
atm(m142,a10,c,car,2.462,-0.222,1.057,-0.148).
atm(m142,a11,h,h,0.692,3.278,0.024,0.058).
atm(m142,a12,h,h,-0.636,2.518,-0.890,0.049).
atm(m142,a13,h,h,-0.642,2.476,0.892,0.031).
atm(m142,a14,h,h,0.435,-0.952,-0.195,0.058).
atm(m142,a15,h,h,-0.798,-0.089,0.759,0.031).
atm(m142,a16,h,h,-0.785,0.053,-1.017,0.049).
atm(m142,a17,h,h,2.214,3.183,0.942,0.115).
atm(m142,a18,h,h,4.307,2.976,2.238,0.102).
atm(m142,a19,h,h,5.693,1.518,3.704,0.042).
atm(m142,a20,h,h,5.644,-0.245,3.529,0.042).
atm(m142,a21,h,h,6.444,0.746,2.298,0.045).
atm(m142,a22,h,h,4.046,-1.317,2.015,0.103).
atm(m142,a23,h,h,1.952,-1.136,0.718,0.115).
bond(m142,a1,a2,1).
bond(m142,a1,a11,1).
bond(m142,a1,a12,1).
bond(m142,a1,a13,1).
bond(m142,a2,a3,1).
bond(m142,a2,a4,1).
bond(m142,a3,a14,1).
bond(m142,a3,a15,1).
bond(m142,a3,a16,1).
bond(m142,a4,a5,ar).
bond(m142,a4,a10,ar).
bond(m142,a5,a6,ar).
bond(m142,a5,a17,1).
bond(m142,a6,a7,ar).
bond(m142,a6,a18,1).
bond(m142,a7,a8,1).
bond(m142,a7,a9,ar).
bond(m142,a8,a19,1).
bond(m142,a8,a20,1).
bond(m142,a8,a21,1).
bond(m142,a9,a10,ar).
bond(m142,a9,a22,1).
bond(m142,a10,a23,1).
atm(m143,a1,n,npl3,6.288,1.207,0.000,0.097).
atm(m143,a2,c,car,4.878,1.210,-0.129,-0.016).
atm(m143,a3,c,car,4.176,-0.004,-0.230,-0.183).
atm(m143,a4,c,car,2.813,0.000,-0.467,0.032).
atm(m143,a5,c,car,2.120,1.212,-0.600,-0.460).
atm(m143,a6,n,n4,0.652,1.213,-0.853,1.316).
atm(m143,a7,o,oco2,0.057,0.156,-0.942,-0.608).
atm(m143,a8,o,oco2,0.063,2.271,-0.965,-0.608).
atm(m143,a9,c,car,2.819,2.423,-0.493,0.032).
atm(m143,a10,c,car,4.183,2.424,-0.257,-0.183).
atm(m143,a11,h,h,6.642,2.038,0.417,0.040).
atm(m143,a12,h,h,6.638,0.385,0.436,0.040).
atm(m143,a13,h,h,4.701,-0.962,-0.128,0.121).
atm(m143,a14,h,h,2.280,-0.958,-0.548,0.130).
atm(m143,a15,h,h,2.292,3.382,-0.596,0.130).
atm(m143,a16,h,h,4.713,3.382,-0.176,0.121).
bond(m143,a1,a2,1).
bond(m143,a1,a11,1).
bond(m143,a1,a12,1).
bond(m143,a2,a3,ar).
bond(m143,a2,a10,ar).
bond(m143,a3,a4,ar).
bond(m143,a3,a13,1).
bond(m143,a4,a5,ar).
bond(m143,a4,a14,1).
bond(m143,a5,a6,1).
bond(m143,a5,a9,ar).
bond(m143,a6,a7,2).
bond(m143,a6,a8,1).
bond(m143,a9,a10,ar).
bond(m143,a9,a15,1).
bond(m143,a10,a16,1).
atm(m144,a1,o,o3,6.288,1.207,0.000,-0.213).
atm(m144,a2,c,car,4.931,1.273,0.036,0.163).
atm(m144,a3,c,car,4.244,0.103,-0.325,-0.171).
atm(m144,a4,c,car,2.859,0.098,-0.311,0.033).
atm(m144,a5,c,car,2.148,1.249,0.060,-0.460).
atm(m144,a6,n,n4,0.656,1.236,0.072,1.316).
atm(m144,a7,o,oco2,0.063,0.221,-0.240,-0.604).
atm(m144,a8,o,oco2,0.051,2.240,0.396,-0.606).
atm(m144,a9,c,car,2.843,2.412,0.419,0.041).
atm(m144,a10,c,car,4.229,2.430,0.409,-0.225).
atm(m144,a11,h,h,6.638,2.050,0.262,0.206).
atm(m144,a12,h,h,4.799,-0.798,-0.615,0.134).
atm(m144,a13,h,h,2.325,-0.820,-0.595,0.132).
atm(m144,a14,h,h,2.298,3.321,0.712,0.131).
atm(m144,a15,h,h,4.762,3.346,0.692,0.123).
bond(m144,a1,a2,1).
bond(m144,a1,a11,1).
bond(m144,a2,a3,ar).
bond(m144,a2,a10,ar).
bond(m144,a3,a4,ar).
bond(m144,a3,a12,1).
bond(m144,a4,a5,ar).
bond(m144,a4,a13,1).
bond(m144,a5,a6,1).
bond(m144,a5,a9,ar).
bond(m144,a6,a7,2).
bond(m144,a6,a8,1).
bond(m144,a9,a10,ar).
bond(m144,a9,a14,1).
bond(m144,a10,a15,1).
atm(m145,a1,c,c3,0.000,2.424,0.000,-0.081).
atm(m145,a2,n,npl3,0.729,1.145,0.000,0.020).
atm(m145,a3,c,c3,-0.122,-0.055,0.001,-0.080).
atm(m145,a4,c,car,2.141,1.076,0.001,0.040).
atm(m145,a5,c,car,2.920,2.250,0.000,-0.215).
atm(m145,a6,c,car,4.302,2.177,0.000,0.020).
atm(m145,a7,c,car,4.950,0.939,0.001,-0.266).
atm(m145,a8,c,c2,6.424,0.832,0.001,0.337).
atm(m145,a9,o,o2,7.173,1.785,0.000,-0.333).
atm(m145,a10,c,car,4.183,-0.229,0.001,-0.002).
atm(m145,a11,c,car,2.801,-0.169,0.001,-0.213).
atm(m145,a12,h,h,0.687,3.285,0.002,0.063).
atm(m145,a13,h,h,-0.640,2.498,-0.891,0.040).
atm(m145,a14,h,h,-0.643,2.497,0.889,0.040).
atm(m145,a15,h,h,0.477,-0.979,0.001,0.062).
atm(m145,a16,h,h,-0.768,-0.065,0.891,0.040).
atm(m145,a17,h,h,-0.768,-0.066,-0.890,0.040).
atm(m145,a18,h,h,2.435,3.237,0.000,0.119).
atm(m145,a19,h,h,4.897,3.099,0.000,0.115).
atm(m145,a20,h,h,6.839,-0.190,0.001,0.039).
atm(m145,a21,h,h,4.680,-1.207,0.001,0.098).
atm(m145,a22,h,h,2.221,-1.104,0.001,0.118).
bond(m145,a1,a2,1).
bond(m145,a1,a12,1).
bond(m145,a1,a13,1).
bond(m145,a1,a14,1).
bond(m145,a2,a3,1).
bond(m145,a2,a4,1).
bond(m145,a3,a15,1).
bond(m145,a3,a16,1).
bond(m145,a3,a17,1).
bond(m145,a4,a5,ar).
bond(m145,a4,a11,ar).
bond(m145,a5,a6,ar).
bond(m145,a5,a18,1).
bond(m145,a6,a7,ar).
bond(m145,a6,a19,1).
bond(m145,a7,a8,1).
bond(m145,a7,a10,ar).
bond(m145,a8,a9,2).
bond(m145,a8,a20,1).
bond(m145,a10,a11,ar).
bond(m145,a10,a21,1).
bond(m145,a11,a22,1).
atm(m146,a1,o,oco2,0.000,2.424,0.000,-0.584).
atm(m146,a2,n,n4,0.608,1.374,0.000,1.298).
atm(m146,a3,o,oco2,0.037,0.303,0.000,-0.584).
atm(m146,a4,c,car,2.115,1.401,0.000,-0.353).
atm(m146,a5,c,car,2.794,2.623,0.000,-0.032).
atm(m146,a6,c,car,4.184,2.647,0.001,-0.032).
atm(m146,a7,c,car,4.905,1.450,0.000,-0.353).
atm(m146,a8,n,n4,6.413,1.476,0.000,1.298).
atm(m146,a9,o,oco2,6.983,2.547,0.001,-0.584).
atm(m146,a10,o,oco2,7.021,0.426,0.000,-0.584).
atm(m146,a11,c,car,4.227,0.228,0.000,-0.032).
atm(m146,a12,c,car,2.836,0.203,0.000,-0.032).
atm(m146,a13,h,h,2.241,3.574,0.001,0.144).
atm(m146,a14,h,h,4.703,3.617,0.001,0.144).
atm(m146,a15,h,h,4.779,-0.724,-0.001,0.144).
atm(m146,a16,h,h,2.318,-0.767,-0.001,0.144).
bond(m146,a1,a2,2).
bond(m146,a2,a3,1).
bond(m146,a2,a4,1).
bond(m146,a4,a5,ar).
bond(m146,a4,a12,ar).
bond(m146,a5,a6,ar).
bond(m146,a5,a13,1).
bond(m146,a6,a7,ar).
bond(m146,a6,a14,1).
bond(m146,a7,a8,1).
bond(m146,a7,a11,ar).
bond(m146,a8,a9,2).
bond(m146,a8,a10,1).
bond(m146,a11,a12,ar).
bond(m146,a11,a15,1).
bond(m146,a12,a16,1).
atm(m147,a1,c,c3,0.000,0.000,0.000,-0.122).
atm(m147,a2,c,c3,1.515,0.049,-0.047,-0.071).
atm(m147,a3,n,n3,2.009,1.460,0.014,-0.074).
atm(m147,a4,c,c3,3.179,1.715,-0.861,-0.117).
atm(m147,a5,c,c3,4.469,0.979,-0.459,0.034).
atm(m147,a6,o,o3,5.504,1.172,-1.382,-0.302).
atm(m147,a7,c,c3,2.180,1.975,1.407,-0.070).
atm(m147,a8,c,c3,0.881,2.550,1.939,-0.123).
atm(m147,a9,h,h,-0.398,0.466,0.918,0.050).
atm(m147,a10,h,h,-0.353,-1.039,-0.024,0.037).
atm(m147,a11,h,h,-0.455,0.523,-0.851,0.048).
atm(m147,a12,h,h,1.943,-0.562,0.777,0.037).
atm(m147,a13,h,h,1.870,-0.421,-0.988,0.054).
atm(m147,a14,h,h,2.885,1.439,-1.894,0.071).
atm(m147,a15,h,h,3.347,2.811,-0.874,0.057).
atm(m147,a16,h,h,4.799,1.276,0.557,0.028).
atm(m147,a17,h,h,4.338,-0.118,-0.460,0.059).
atm(m147,a18,h,h,5.661,2.106,-1.444,0.183).
atm(m147,a19,h,h,2.553,1.179,2.088,0.037).
atm(m147,a20,h,h,2.960,2.765,1.410,0.049).
atm(m147,a21,h,h,0.071,1.801,1.941,0.051).
atm(m147,a22,h,h,0.531,3.400,1.339,0.048).
atm(m147,a23,h,h,1.009,2.904,2.970,0.037).
bond(m147,a1,a2,1).
bond(m147,a1,a9,1).
bond(m147,a1,a10,1).
bond(m147,a1,a11,1).
bond(m147,a2,a3,1).
bond(m147,a2,a12,1).
bond(m147,a2,a13,1).
bond(m147,a3,a4,1).
bond(m147,a3,a7,1).
bond(m147,a4,a5,1).
bond(m147,a4,a14,1).
bond(m147,a4,a15,1).
bond(m147,a5,a6,1).
bond(m147,a5,a16,1).
bond(m147,a5,a17,1).
bond(m147,a6,a18,1).
bond(m147,a7,a8,1).
bond(m147,a7,a19,1).
bond(m147,a7,a20,1).
bond(m147,a8,a21,1).
bond(m147,a8,a22,1).
bond(m147,a8,a23,1).
atm(m148,a1,c,c3,0.000,2.423,0.000,-0.115).
atm(m148,a2,c,c3,0.807,1.145,0.072,-0.050).
atm(m148,a3,c,car,1.946,1.120,-0.896,-0.076).
atm(m148,a4,c,car,2.679,2.279,-1.157,-0.111).
atm(m148,a5,c,car,3.759,2.247,-2.029,-0.095).
atm(m148,a6,c,car,4.116,1.055,-2.651,-0.109).
atm(m148,a7,c,car,3.387,-0.103,-2.400,-0.098).
atm(m148,a8,c,car,2.305,-0.073,-1.526,-0.104).
atm(m148,a9,h,h,0.659,3.307,0.038,0.044).
atm(m148,a10,h,h,-0.575,2.488,-0.932,0.042).
atm(m148,a11,h,h,-0.710,2.496,0.833,0.040).
atm(m148,a12,h,h,1.224,1.016,1.092,0.055).
atm(m148,a13,h,h,0.145,0.271,-0.092,0.054).
atm(m148,a14,h,h,2.372,3.216,-0.667,0.112).
atm(m148,a15,h,h,4.328,3.161,-2.227,0.102).
atm(m148,a16,h,h,4.967,1.028,-3.339,0.102).
atm(m148,a17,h,h,3.665,-1.041,-2.891,0.101).
atm(m148,a18,h,h,1.734,-0.988,-1.333,0.105).
bond(m148,a1,a2,1).
bond(m148,a1,a9,1).
bond(m148,a1,a10,1).
bond(m148,a1,a11,1).
bond(m148,a2,a3,1).
bond(m148,a2,a12,1).
bond(m148,a2,a13,1).
bond(m148,a3,a4,ar).
bond(m148,a3,a8,ar).
bond(m148,a4,a5,ar).
bond(m148,a4,a14,1).
bond(m148,a5,a6,ar).
bond(m148,a5,a15,1).
bond(m148,a6,a7,ar).
bond(m148,a6,a16,1).
bond(m148,a7,a8,ar).
bond(m148,a7,a17,1).
bond(m148,a8,a18,1).
atm(m149,a1,n,n3,0.000,2.423,0.000,-0.034).
atm(m149,a2,c,c3,0.721,1.138,0.080,-0.060).
atm(m149,a3,c,car,1.828,1.008,-0.924,-0.126).
atm(m149,a4,c,car,3.108,1.472,-0.620,-0.090).
atm(m149,a5,c,car,4.131,1.360,-1.555,-0.102).
atm(m149,a6,c,car,3.882,0.783,-2.796,-0.098).
atm(m149,a7,c,car,2.608,0.317,-3.101,-0.102).
atm(m149,a8,c,car,1.582,0.427,-2.169,-0.089).
atm(m149,a9,h,h,0.637,3.177,0.153,0.026).
atm(m149,a10,h,h,-0.408,2.525,-0.906,0.026).
atm(m149,a11,h,h,1.119,1.036,1.110,0.063).
atm(m149,a12,h,h,-0.021,0.324,-0.050,0.063).
atm(m149,a13,h,h,3.307,1.921,0.360,0.107).
atm(m149,a14,h,h,5.135,1.724,-1.312,0.104).
atm(m149,a15,h,h,4.689,0.694,-3.530,0.104).
atm(m149,a16,h,h,2.411,-0.140,-4.077,0.104).
atm(m149,a17,h,h,0.580,0.054,-2.410,0.107).
bond(m149,a1,a2,1).
bond(m149,a1,a9,1).
bond(m149,a1,a10,1).
bond(m149,a2,a3,1).
bond(m149,a2,a11,1).
bond(m149,a2,a12,1).
bond(m149,a3,a4,ar).
bond(m149,a3,a8,ar).
bond(m149,a4,a5,ar).
bond(m149,a4,a13,1).
bond(m149,a5,a6,ar).
bond(m149,a5,a14,1).
bond(m149,a6,a7,ar).
bond(m149,a6,a15,1).
bond(m149,a7,a8,ar).
bond(m149,a7,a16,1).
bond(m149,a8,a17,1).
atm(m14,a1,cl,cl,0.000,0.699,0.000,-0.050).
atm(m14,a2,c,c3,1.538,-0.188,0.012,-0.097).
atm(m14,a3,c,c3,2.661,0.835,-0.050,0.068).
atm(m14,a4,o,o3,3.877,0.087,-0.020,-0.281).
atm(m14,a5,c,c2,5.051,0.782,-0.129,0.351).
atm(m14,a6,o,o2,5.075,2.000,-0.172,-0.401).
atm(m14,a7,n,nam,6.126,-0.142,-0.264,-0.005).
atm(m14,a8,c,c3,7.519,0.250,0.093,-0.047).
atm(m14,a9,c,c3,7.670,0.721,1.545,-0.130).
atm(m14,a10,c,c3,9.132,0.996,1.858,-0.089).
atm(m14,a11,c,c3,9.715,2.019,0.896,-0.100).
atm(m14,a12,c,c3,9.545,1.569,-0.547,-0.093).
atm(m14,a13,c,c3,8.081,1.304,-0.867,-0.112).
atm(m14,a14,h,h,1.583,-0.805,0.927,0.071).
atm(m14,a15,h,h,1.555,-0.879,-0.849,0.073).
atm(m14,a16,h,h,2.605,1.441,-0.974,0.063).
atm(m14,a17,h,h,2.624,1.528,0.812,0.060).
atm(m14,a18,h,h,5.910,-1.051,0.090,0.078).
atm(m14,a19,h,h,8.109,-0.693,-0.042,0.068).
atm(m14,a20,h,h,7.273,-0.040,2.245,0.048).
atm(m14,a21,h,h,7.070,1.639,1.716,0.074).
atm(m14,a22,h,h,9.714,0.054,1.807,0.048).
atm(m14,a23,h,h,9.231,1.356,2.901,0.051).
atm(m14,a24,h,h,10.786,2.182,1.119,0.050).
atm(m14,a25,h,h,9.221,3.000,1.045,0.057).
atm(m14,a26,h,h,10.147,0.657,-0.732,0.048).
atm(m14,a27,h,h,9.944,2.339,-1.234,0.053).
atm(m14,a28,h,h,7.506,2.250,-0.794,0.084).
atm(m14,a29,h,h,7.978,0.964,-1.916,0.061).
bond(m14,a1,a2,1).
bond(m14,a2,a3,1).
bond(m14,a2,a14,1).
bond(m14,a2,a15,1).
bond(m14,a3,a4,1).
bond(m14,a3,a16,1).
bond(m14,a3,a17,1).
bond(m14,a4,a5,1).
bond(m14,a5,a6,2).
bond(m14,a5,a7,1).
bond(m14,a7,a8,1).
bond(m14,a7,a18,1).
bond(m14,a8,a9,1).
bond(m14,a8,a13,1).
bond(m14,a8,a19,1).
bond(m14,a9,a10,1).
bond(m14,a9,a20,1).
bond(m14,a9,a21,1).
bond(m14,a10,a11,1).
bond(m14,a10,a22,1).
bond(m14,a10,a23,1).
bond(m14,a11,a12,1).
bond(m14,a11,a24,1).
bond(m14,a11,a25,1).
bond(m14,a12,a13,1).
bond(m14,a12,a26,1).
bond(m14,a12,a27,1).
bond(m14,a13,a28,1).
bond(m14,a13,a29,1).
atm(m150,a1,c,car,4.895,1.209,0.000,-0.070).
atm(m150,a2,c,car,4.198,0.004,0.001,-0.119).
atm(m150,a3,c,car,2.809,0.004,0.000,-0.056).
atm(m150,a4,c,car,2.108,1.213,-0.001,-0.201).
atm(m150,a5,c,c2,0.624,1.179,-0.001,0.328).
atm(m150,a6,o,o2,-0.072,2.168,-0.002,-0.317).
atm(m150,a7,c,car,4.201,2.414,-0.001,-0.119).
atm(m150,a8,c,car,2.810,2.419,-0.001,-0.034).
atm(m150,a9,h,h,5.990,1.207,0.000,0.104).
atm(m150,a10,h,h,4.745,-0.945,0.001,0.107).
atm(m150,a11,h,h,2.261,-0.946,0.001,0.104).
atm(m150,a12,h,h,0.159,0.178,0.000,0.045).
atm(m150,a13,h,h,4.749,3.362,-0.002,0.108).
atm(m150,a14,h,h,2.262,3.369,-0.002,0.120).
bond(m150,a1,a2,ar).
bond(m150,a1,a7,ar).
bond(m150,a1,a9,1).
bond(m150,a2,a3,ar).
bond(m150,a2,a10,1).
bond(m150,a3,a4,ar).
bond(m150,a3,a11,1).
bond(m150,a4,a5,1).
bond(m150,a4,a8,ar).
bond(m150,a5,a6,2).
bond(m150,a5,a12,1).
bond(m150,a7,a8,ar).
bond(m150,a7,a13,1).
bond(m150,a8,a14,1).
atm(m151,a1,c,car,4.895,1.209,0.000,-0.136).
atm(m151,a2,c,car,4.197,0.006,-0.023,-0.073).
atm(m151,a3,c,car,2.808,-0.003,-0.020,-0.148).
atm(m151,a4,c,car,2.104,1.209,0.012,-0.063).
atm(m151,a5,n,npl3,0.671,1.193,0.131,0.039).
atm(m151,a6,c,c3,-0.058,2.338,-0.443,-0.113).
atm(m151,a7,c,car,4.199,2.413,0.028,-0.071).
atm(m151,a8,c,car,2.811,2.420,0.034,-0.147).
atm(m151,a9,h,h,5.990,1.208,-0.004,0.104).
atm(m151,a10,h,h,4.745,-0.942,-0.045,0.100).
atm(m151,a11,h,h,2.276,-0.961,-0.038,0.108).
atm(m151,a12,h,h,0.294,0.328,-0.193,0.050).
atm(m151,a13,h,h,0.450,3.278,-0.171,0.058).
atm(m151,a14,h,h,-0.145,2.307,-1.539,0.028).
atm(m151,a15,h,h,-1.068,2.352,-0.017,0.050).
atm(m151,a16,h,h,4.746,3.361,0.047,0.100).
atm(m151,a17,h,h,2.256,3.371,0.055,0.115).
bond(m151,a1,a2,ar).
bond(m151,a1,a7,ar).
bond(m151,a1,a9,1).
bond(m151,a2,a3,ar).
bond(m151,a2,a10,1).
bond(m151,a3,a4,ar).
bond(m151,a3,a11,1).
bond(m151,a4,a5,1).
bond(m151,a4,a8,ar).
bond(m151,a5,a6,1).
bond(m151,a5,a12,1).
bond(m151,a6,a13,1).
bond(m151,a6,a14,1).
bond(m151,a6,a15,1).
bond(m151,a7,a8,ar).
bond(m151,a7,a16,1).
bond(m151,a8,a17,1).
atm(m152,a1,o,o3,0.000,0.000,0.000,-0.217).
atm(m152,a2,n,n2,0.661,1.192,-0.113,0.041).
atm(m152,a3,c,c2,1.957,1.290,-0.206,-0.160).
atm(m152,a4,c,c3,2.562,2.662,-0.294,-0.046).
atm(m152,a5,c,c3,3.943,2.601,-0.926,-0.097).
atm(m152,a6,c,c3,4.897,1.707,-0.145,-0.096).
atm(m152,a7,c,c3,4.207,0.507,0.494,-0.088).
atm(m152,a8,c,c3,2.917,0.136,-0.218,-0.069).
atm(m152,a9,h,h,0.653,-0.691,0.121,0.165).
atm(m152,a10,h,h,2.629,3.088,0.729,0.065).
atm(m152,a11,h,h,1.912,3.353,-0.868,0.073).
atm(m152,a12,h,h,4.364,3.622,-1.003,0.054).
atm(m152,a13,h,h,3.854,2.238,-1.969,0.052).
atm(m152,a14,h,h,5.405,2.294,0.646,0.051).
atm(m152,a15,h,h,5.707,1.367,-0.820,0.049).
atm(m152,a16,h,h,3.986,0.721,1.559,0.054).
atm(m152,a17,h,h,4.891,-0.364,0.503,0.052).
atm(m152,a18,h,h,3.125,-0.140,-1.272,0.070).
atm(m152,a19,h,h,2.467,-0.769,0.248,0.048).
bond(m152,a1,a2,1).
bond(m152,a1,a9,1).
bond(m152,a2,a3,2).
bond(m152,a3,a4,1).
bond(m152,a3,a8,1).
bond(m152,a4,a5,1).
bond(m152,a4,a10,1).
bond(m152,a4,a11,1).
bond(m152,a5,a6,1).
bond(m152,a5,a12,1).
bond(m152,a5,a13,1).
bond(m152,a6,a7,1).
bond(m152,a6,a14,1).
bond(m152,a6,a15,1).
bond(m152,a7,a8,1).
bond(m152,a7,a16,1).
bond(m152,a7,a17,1).
bond(m152,a8,a18,1).
bond(m152,a8,a19,1).
atm(m153,a1,n,nar,3.500,0.000,0.000,-0.041).
atm(m153,a2,c,car,2.818,1.179,0.000,0.069).
atm(m153,a3,c,c1,1.390,1.109,0.000,-0.098).
atm(m153,a4,n,n1,0.233,1.057,0.000,-0.039).
atm(m153,a5,c,car,3.474,2.414,0.000,-0.116).
atm(m153,a6,c,car,4.867,2.426,0.000,-0.066).
atm(m153,a7,c,car,5.563,1.223,0.000,-0.132).
atm(m153,a8,c,car,4.848,0.021,0.000,-0.060).
atm(m153,a9,h,h,2.905,3.351,0.000,0.126).
atm(m153,a10,h,h,5.407,3.379,0.000,0.114).
atm(m153,a11,h,h,6.658,1.210,0.000,0.119).
atm(m153,a12,h,h,5.338,-0.960,0.000,0.125).
bond(m153,a1,a2,ar).
bond(m153,a1,a8,ar).
bond(m153,a2,a3,1).
bond(m153,a2,a5,ar).
bond(m153,a3,a4,3).
bond(m153,a5,a6,ar).
bond(m153,a5,a9,1).
bond(m153,a6,a7,ar).
bond(m153,a6,a10,1).
bond(m153,a7,a8,ar).
bond(m153,a7,a11,1).
bond(m153,a8,a12,1).
atm(m154,a1,n,nar,2.100,2.423,0.000,-0.086).
atm(m154,a2,c,car,2.779,1.237,0.000,-0.032).
atm(m154,a3,c,c3,4.275,1.346,0.000,-0.053).
atm(m154,a4,c,c3,5.012,0.026,0.000,-0.113).
atm(m154,a5,c,car,2.081,0.026,0.000,-0.156).
atm(m154,a6,c,car,0.688,0.035,0.000,-0.060).
atm(m154,a7,c,car,0.010,1.247,0.000,-0.161).
atm(m154,a8,c,car,0.753,2.430,0.000,-0.054).
atm(m154,a9,h,h,4.588,1.941,-0.884,0.068).
atm(m154,a10,h,h,4.588,1.942,0.883,0.068).
atm(m154,a11,h,h,6.098,0.191,-0.001,0.042).
atm(m154,a12,h,h,4.777,-0.579,0.886,0.041).
atm(m154,a13,h,h,4.776,-0.580,-0.885,0.041).
atm(m154,a14,h,h,2.619,-0.928,-0.001,0.121).
atm(m154,a15,h,h,0.134,-0.910,0.000,0.105).
atm(m154,a16,h,h,-1.083,1.280,0.000,0.114).
atm(m154,a17,h,h,0.285,3.421,0.000,0.116).
bond(m154,a1,a2,ar).
bond(m154,a1,a8,ar).
bond(m154,a2,a3,1).
bond(m154,a2,a5,ar).
bond(m154,a3,a4,1).
bond(m154,a3,a9,1).
bond(m154,a3,a10,1).
bond(m154,a4,a11,1).
bond(m154,a4,a12,1).
bond(m154,a4,a13,1).
bond(m154,a5,a6,ar).
bond(m154,a5,a14,1).
bond(m154,a6,a7,ar).
bond(m154,a6,a15,1).
bond(m154,a7,a8,ar).
bond(m154,a7,a16,1).
bond(m154,a8,a17,1).
atm(m155,a1,c,c3,0.000,1.993,0.000,-0.132).
atm(m155,a2,c,c3,1.206,1.052,-0.093,0.238).
atm(m155,a3,c,c3,0.755,-0.415,-0.139,-0.150).
atm(m155,a4,o,o3,1.972,1.380,-1.258,-0.282).
atm(m155,a5,c,c3,3.342,1.528,-0.924,0.041).
atm(m155,a6,c,c3,3.413,1.464,0.607,0.009).
atm(m155,a7,c,c3,4.321,0.351,1.165,0.052).
atm(m155,a8,o,o3,4.133,-0.913,0.596,-0.317).
atm(m155,a9,o,o3,2.064,1.275,1.033,-0.284).
atm(m155,a10,h,h,0.301,3.048,0.014,0.056).
atm(m155,a11,h,h,-0.669,1.848,-0.858,0.056).
atm(m155,a12,h,h,-0.576,1.799,0.914,0.055).
atm(m155,a13,h,h,1.606,-1.113,-0.098,0.046).
atm(m155,a14,h,h,0.097,-0.647,0.708,0.056).
atm(m155,a15,h,h,0.201,-0.624,-1.063,0.062).
atm(m155,a16,h,h,3.660,2.495,-1.344,0.055).
atm(m155,a17,h,h,3.906,0.726,-1.431,0.065).
atm(m155,a18,h,h,3.719,2.432,1.062,0.076).
atm(m155,a19,h,h,5.379,0.573,0.940,0.059).
atm(m155,a20,h,h,4.210,0.286,2.265,0.042).
atm(m155,a21,h,h,3.198,-1.107,0.624,0.197).
bond(m155,a1,a2,1).
bond(m155,a1,a10,1).
bond(m155,a1,a11,1).
bond(m155,a1,a12,1).
bond(m155,a2,a3,1).
bond(m155,a2,a4,1).
bond(m155,a2,a9,1).
bond(m155,a3,a13,1).
bond(m155,a3,a14,1).
bond(m155,a3,a15,1).
bond(m155,a4,a5,1).
bond(m155,a5,a6,1).
bond(m155,a5,a16,1).
bond(m155,a5,a17,1).
bond(m155,a6,a7,1).
bond(m155,a6,a9,1).
bond(m155,a6,a18,1).
bond(m155,a7,a8,1).
bond(m155,a7,a19,1).
bond(m155,a7,a20,1).
bond(m155,a8,a21,1).
atm(m156,a1,n,n3,1.165,1.717,0.253,-0.135).
atm(m156,a2,c,c3,1.934,2.997,0.079,-0.066).
atm(m156,a3,n,n3,1.072,4.023,-0.604,-0.135).
atm(m156,a4,c,c3,-0.152,4.280,0.232,-0.066).
atm(m156,a5,n,n3,-0.929,3.004,0.408,-0.135).
atm(m156,a6,c,c3,-1.342,2.485,-0.943,-0.066).
atm(m156,a7,n,n3,-0.124,2.222,-1.784,-0.135).
atm(m156,a8,c,c3,0.743,1.203,-1.097,-0.066).
atm(m156,a9,c,c3,0.651,3.500,-1.951,-0.066).
atm(m156,a10,c,c3,-0.059,1.982,1.087,-0.066).
atm(m156,a11,h,h,2.262,3.377,1.067,0.078).
atm(m156,a12,h,h,2.845,2.809,-0.524,0.078).
atm(m156,a13,h,h,-0.787,5.045,-0.255,0.078).
atm(m156,a14,h,h,0.148,4.679,1.222,0.078).
atm(m156,a15,h,h,-1.996,3.225,-1.446,0.078).
atm(m156,a16,h,h,-1.928,1.552,-0.823,0.078).
atm(m156,a17,h,h,1.638,0.990,-1.715,0.078).
atm(m156,a18,h,h,0.186,0.252,-0.980,0.078).
atm(m156,a19,h,h,0.026,4.255,-2.469,0.078).
atm(m156,a20,h,h,1.545,3.320,-2.581,0.078).
atm(m156,a21,h,h,0.239,2.348,2.089,0.078).
atm(m156,a22,h,h,-0.628,1.042,1.233,0.078).
bond(m156,a1,a2,1).
bond(m156,a1,a8,1).
bond(m156,a1,a10,1).
bond(m156,a2,a3,1).
bond(m156,a2,a11,1).
bond(m156,a2,a12,1).
bond(m156,a3,a4,1).
bond(m156,a3,a9,1).
bond(m156,a4,a5,1).
bond(m156,a4,a13,1).
bond(m156,a4,a14,1).
bond(m156,a5,a6,1).
bond(m156,a5,a10,1).
bond(m156,a6,a7,1).
bond(m156,a6,a15,1).
bond(m156,a6,a16,1).
bond(m156,a7,a8,1).
bond(m156,a7,a9,1).
bond(m156,a8,a17,1).
bond(m156,a8,a18,1).
bond(m156,a9,a19,1).
bond(m156,a9,a20,1).
bond(m156,a10,a21,1).
bond(m156,a10,a22,1).
atm(m157,a1,c,car,1.214,0.000,0.000,-0.126).
atm(m157,a2,c,car,0.019,0.709,-0.023,-0.078).
atm(m157,a3,c,car,0.025,2.101,-0.037,-0.125).
atm(m157,a4,c,car,1.230,2.795,-0.034,-0.075).
atm(m157,a5,c,car,2.438,2.107,-0.017,-0.152).
atm(m157,a6,c,car,2.422,0.708,0.001,0.068).
atm(m157,a7,o,o3,3.566,-0.073,-0.087,-0.132).
atm(m157,a8,c,car,4.688,0.369,0.601,0.068).
atm(m157,a9,c,car,4.637,0.945,1.874,-0.152).
atm(m157,a10,c,car,5.828,1.254,2.522,-0.075).
atm(m157,a11,c,car,7.050,0.989,1.913,-0.125).
atm(m157,a12,c,car,7.090,0.412,0.648,-0.078).
atm(m157,a13,c,car,5.913,0.100,-0.022,-0.126).
atm(m157,a14,h,h,1.210,-1.096,0.008,0.121).
atm(m157,a15,h,h,-0.932,0.167,-0.028,0.103).
atm(m157,a16,h,h,-0.922,2.650,-0.053,0.106).
atm(m157,a17,h,h,1.231,3.889,-0.048,0.103).
atm(m157,a18,h,h,3.389,2.651,-0.015,0.122).
atm(m157,a19,h,h,3.673,1.153,2.352,0.122).
atm(m157,a20,h,h,5.799,1.706,3.519,0.103).
atm(m157,a21,h,h,7.983,1.234,2.432,0.106).
atm(m157,a22,h,h,8.055,0.203,0.173,0.103).
atm(m157,a23,h,h,5.944,-0.358,-1.017,0.121).
bond(m157,a1,a2,ar).
bond(m157,a1,a6,ar).
bond(m157,a1,a14,1).
bond(m157,a2,a3,ar).
bond(m157,a2,a15,1).
bond(m157,a3,a4,ar).
bond(m157,a3,a16,1).
bond(m157,a4,a5,ar).
bond(m157,a4,a17,1).
bond(m157,a5,a6,ar).
bond(m157,a5,a18,1).
bond(m157,a6,a7,1).
bond(m157,a7,a8,1).
bond(m157,a8,a9,ar).
bond(m157,a8,a13,ar).
bond(m157,a9,a10,ar).
bond(m157,a9,a19,1).
bond(m157,a10,a11,ar).
bond(m157,a10,a20,1).
bond(m157,a11,a12,ar).
bond(m157,a11,a21,1).
bond(m157,a12,a13,ar).
bond(m157,a12,a22,1).
bond(m157,a13,a23,1).
atm(m158,a1,c,c3,7.268,0.000,0.000,-0.111).
atm(m158,a2,c,c3,5.964,0.772,-0.006,-0.098).
atm(m158,a3,n,npl3,4.809,-0.161,0.033,0.032).
atm(m158,a4,c,car,3.523,0.421,0.298,-0.054).
atm(m158,a5,c,car,2.372,-0.187,-0.225,-0.150).
atm(m158,a6,c,car,1.112,0.302,0.112,-0.045).
atm(m158,a7,c,c3,-0.115,-0.335,-0.430,-0.067).
atm(m158,a8,c,car,0.997,1.402,0.966,-0.140).
atm(m158,a9,c,car,2.138,2.006,1.480,-0.066).
atm(m158,a10,c,car,3.398,1.524,1.153,-0.156).
atm(m158,a11,h,h,8.122,0.690,0.003,0.042).
atm(m158,a12,h,h,7.364,-0.644,0.885,0.051).
atm(m158,a13,h,h,7.372,-0.643,-0.885,0.038).
atm(m158,a14,h,h,5.892,1.434,0.887,0.066).
atm(m158,a15,h,h,5.920,1.445,-0.888,0.037).
atm(m158,a16,h,h,4.789,-0.740,-0.779,0.052).
atm(m158,a17,h,h,2.451,-1.052,-0.896,0.112).
atm(m158,a18,h,h,0.110,-1.180,-1.095,0.043).
atm(m158,a19,h,h,-0.749,-0.713,0.383,0.048).
atm(m158,a20,h,h,-0.711,0.389,-1.003,0.046).
atm(m158,a21,h,h,0.005,1.785,1.227,0.107).
atm(m158,a22,h,h,2.044,2.867,2.150,0.099).
atm(m158,a23,h,h,4.302,2.000,1.560,0.115).
bond(m158,a1,a2,1).
bond(m158,a1,a11,1).
bond(m158,a1,a12,1).
bond(m158,a1,a13,1).
bond(m158,a2,a3,1).
bond(m158,a2,a14,1).
bond(m158,a2,a15,1).
bond(m158,a3,a4,1).
bond(m158,a3,a16,1).
bond(m158,a4,a5,ar).
bond(m158,a4,a10,ar).
bond(m158,a5,a6,ar).
bond(m158,a5,a17,1).
bond(m158,a6,a7,1).
bond(m158,a6,a8,ar).
bond(m158,a7,a18,1).
bond(m158,a7,a19,1).
bond(m158,a7,a20,1).
bond(m158,a8,a9,ar).
bond(m158,a8,a21,1).
bond(m158,a9,a10,ar).
bond(m158,a9,a22,1).
bond(m158,a10,a23,1).
atm(m159,a1,c,c3,0.000,0.000,0.000,-0.107).
atm(m159,a2,c,c3,0.723,1.328,0.022,-0.109).
atm(m159,a3,c,c3,1.812,1.334,1.087,-0.086).
atm(m159,a4,n,n3,2.382,2.691,1.343,-0.080).
atm(m159,a5,c,c3,2.789,3.460,0.136,-0.079).
atm(m159,a6,c,c3,3.563,2.709,-0.945,-0.132).
atm(m159,a7,c,c3,4.948,2.288,-0.508,-0.121).
atm(m159,a8,c,c3,3.452,2.636,2.385,-0.087).
atm(m159,a9,c,c3,2.884,2.238,3.743,-0.108).
atm(m159,a10,c,c3,3.989,2.024,4.751,-0.108).
atm(m159,a11,h,h,0.688,-0.834,-0.190,0.036).
atm(m159,a12,h,h,-0.504,-0.204,0.954,0.039).
atm(m159,a13,h,h,-0.766,-0.021,-0.786,0.038).
atm(m159,a14,h,h,1.189,1.525,-0.972,0.054).
atm(m159,a15,h,h,0.001,2.150,0.191,0.063).
atm(m159,a16,h,h,1.411,0.992,2.068,0.064).
atm(m159,a17,h,h,2.607,0.604,0.812,0.036).
atm(m159,a18,h,h,1.844,3.849,-0.296,0.058).
atm(m159,a19,h,h,3.365,4.345,0.475,0.059).
atm(m159,a20,h,h,2.967,1.829,-1.279,0.063).
atm(m159,a21,h,h,3.642,3.362,-1.837,0.053).
atm(m159,a22,h,h,5.591,3.157,-0.316,0.039).
atm(m159,a23,h,h,4.920,1.697,0.423,0.047).
atm(m159,a24,h,h,5.440,1.677,-1.275,0.040).
atm(m159,a25,h,h,4.271,1.941,2.073,0.043).
atm(m159,a26,h,h,3.915,3.642,2.453,0.056).
atm(m159,a27,h,h,2.183,3.016,4.106,0.060).
atm(m159,a28,h,h,2.269,1.314,3.639,0.057).
atm(m159,a29,h,h,4.594,2.931,4.887,0.038).
atm(m159,a30,h,h,3.584,1.750,5.733,0.038).
atm(m159,a31,h,h,4.672,1.221,4.443,0.036).
bond(m159,a1,a2,1).
bond(m159,a1,a11,1).
bond(m159,a1,a12,1).
bond(m159,a1,a13,1).
bond(m159,a2,a3,1).
bond(m159,a2,a14,1).
bond(m159,a2,a15,1).
bond(m159,a3,a4,1).
bond(m159,a3,a16,1).
bond(m159,a3,a17,1).
bond(m159,a4,a5,1).
bond(m159,a4,a8,1).
bond(m159,a5,a6,1).
bond(m159,a5,a18,1).
bond(m159,a5,a19,1).
bond(m159,a6,a7,1).
bond(m159,a6,a20,1).
bond(m159,a6,a21,1).
bond(m159,a7,a22,1).
bond(m159,a7,a23,1).
bond(m159,a7,a24,1).
bond(m159,a8,a9,1).
bond(m159,a8,a25,1).
bond(m159,a8,a26,1).
bond(m159,a9,a10,1).
bond(m159,a9,a27,1).
bond(m159,a9,a28,1).
bond(m159,a10,a29,1).
bond(m159,a10,a30,1).
bond(m159,a10,a31,1).
atm(m15,a1,n,nam,1.465,1.809,-0.330,-0.030).
atm(m15,a2,c,c2,2.711,2.120,0.293,0.255).
atm(m15,a3,o,o2,2.605,2.820,1.288,-0.329).
atm(m15,a4,c,c3,4.021,1.531,-0.250,0.008).
atm(m15,a5,c,car,5.137,2.564,-0.262,-0.107).
atm(m15,a6,c,car,6.248,2.373,-1.087,-0.113).
atm(m15,a7,c,car,7.298,3.283,-1.075,-0.098).
atm(m15,a8,c,car,7.254,4.391,-0.236,-0.090).
atm(m15,a9,c,car,6.156,4.582,0.595,-0.098).
atm(m15,a10,c,car,5.105,3.673,0.587,-0.114).
atm(m15,a11,c,c3,4.432,0.329,0.640,-0.085).
atm(m15,a12,c,c3,4.737,0.679,2.078,-0.129).
atm(m15,a13,c,c2,3.843,0.973,-1.675,0.248).
atm(m15,a14,o,o2,4.727,0.425,-2.315,-0.336).
atm(m15,a15,n,nam,2.609,1.098,-2.369,-0.021).
atm(m15,a16,c,c2,1.395,1.422,-1.700,0.229).
atm(m15,a17,o,o2,0.324,1.362,-2.284,-0.358).
atm(m15,a18,h,h,0.635,2.213,0.058,0.124).
atm(m15,a19,h,h,6.268,1.492,-1.758,0.150).
atm(m15,a20,h,h,8.161,3.122,-1.730,0.107).
atm(m15,a21,h,h,8.081,5.108,-0.228,0.105).
atm(m15,a22,h,h,6.115,5.449,1.262,0.107).
atm(m15,a23,h,h,4.231,3.808,1.256,0.154).
atm(m15,a24,h,h,3.635,-0.440,0.602,0.053).
atm(m15,a25,h,h,5.331,-0.137,0.185,0.079).
atm(m15,a26,h,h,5.460,1.504,2.150,0.061).
atm(m15,a27,h,h,3.839,0.983,2.634,0.054).
atm(m15,a28,h,h,5.166,-0.186,2.601,0.048).
atm(m15,a29,h,h,2.532,0.698,-3.284,0.125).
bond(m15,a1,a2,1).
bond(m15,a1,a16,1).
bond(m15,a1,a18,1).
bond(m15,a2,a3,2).
bond(m15,a2,a4,1).
bond(m15,a4,a5,1).
bond(m15,a4,a11,1).
bond(m15,a4,a13,1).
bond(m15,a5,a6,ar).
bond(m15,a5,a10,ar).
bond(m15,a6,a7,ar).
bond(m15,a6,a19,1).
bond(m15,a7,a8,ar).
bond(m15,a7,a20,1).
bond(m15,a8,a9,ar).
bond(m15,a8,a21,1).
bond(m15,a9,a10,ar).
bond(m15,a9,a22,1).
bond(m15,a10,a23,1).
bond(m15,a11,a12,1).
bond(m15,a11,a24,1).
bond(m15,a11,a25,1).
bond(m15,a12,a26,1).
bond(m15,a12,a27,1).
bond(m15,a12,a28,1).
bond(m15,a13,a14,2).
bond(m15,a13,a15,1).
bond(m15,a15,a16,1).
bond(m15,a15,a29,1).
bond(m15,a16,a17,2).
atm(m160,a1,o,o3,0.000,0.000,0.000,-0.301).
atm(m160,a2,c,c3,0.622,1.244,0.170,0.038).
atm(m160,a3,c,c3,1.946,1.129,0.941,-0.132).
atm(m160,a4,n,n3,2.557,2.402,1.395,-0.073).
atm(m160,a5,c,c3,2.921,3.368,0.327,-0.120).
atm(m160,a6,c,c3,1.862,4.409,-0.072,0.038).
atm(m160,a7,o,o3,1.932,5.598,0.668,-0.312).
atm(m160,a8,c,c3,1.877,2.999,2.578,-0.118).
atm(m160,a9,c,c3,2.143,2.132,3.820,0.059).
atm(m160,a10,o,o3,1.443,2.586,4.944,-0.303).
atm(m160,a11,h,h,0.603,-0.557,-0.477,0.184).
atm(m160,a12,h,h,0.771,1.739,-0.811,0.032).
atm(m160,a13,h,h,-0.140,1.823,0.724,0.058).
atm(m160,a14,h,h,1.811,0.511,1.859,0.078).
atm(m160,a15,h,h,2.706,0.610,0.322,0.061).
atm(m160,a16,h,h,3.843,3.874,0.680,0.076).
atm(m160,a17,h,h,3.212,2.783,-0.568,0.066).
atm(m160,a18,h,h,2.028,4.760,-1.105,0.061).
atm(m160,a19,h,h,0.834,3.993,-0.022,0.033).
atm(m160,a20,h,h,1.909,5.360,1.591,0.189).
atm(m160,a21,h,h,2.270,4.028,2.731,0.063).
atm(m160,a22,h,h,0.782,3.112,2.411,0.039).
atm(m160,a23,h,h,1.906,1.065,3.601,0.036).
atm(m160,a24,h,h,3.196,2.184,4.144,0.067).
atm(m160,a25,h,h,0.516,2.496,4.762,0.182).
bond(m160,a1,a2,1).
bond(m160,a1,a11,1).
bond(m160,a2,a3,1).
bond(m160,a2,a12,1).
bond(m160,a2,a13,1).
bond(m160,a3,a4,1).
bond(m160,a3,a14,1).
bond(m160,a3,a15,1).
bond(m160,a4,a5,1).
bond(m160,a4,a8,1).
bond(m160,a5,a6,1).
bond(m160,a5,a16,1).
bond(m160,a5,a17,1).
bond(m160,a6,a7,1).
bond(m160,a6,a18,1).
bond(m160,a6,a19,1).
bond(m160,a7,a20,1).
bond(m160,a8,a9,1).
bond(m160,a8,a21,1).
bond(m160,a8,a22,1).
bond(m160,a9,a10,1).
bond(m160,a9,a23,1).
bond(m160,a9,a24,1).
bond(m160,a10,a25,1).
atm(m161,a1,c,car,2.100,0.000,0.000,-0.103).
atm(m161,a2,c,car,0.710,-0.001,0.014,-0.098).
atm(m161,a3,c,car,0.008,1.199,0.043,-0.110).
atm(m161,a4,c,car,0.701,2.405,0.053,-0.095).
atm(m161,a5,c,car,2.090,2.409,0.040,-0.115).
atm(m161,a6,c,car,2.801,1.207,0.016,-0.070).
atm(m161,a7,c,c3,4.296,1.199,0.044,-0.062).
atm(m161,a8,c,c3,4.912,2.320,-0.782,-0.108).
atm(m161,a9,c,c3,6.405,2.552,-0.472,0.105).
atm(m161,a10,c,c3,6.935,3.695,-1.351,-0.150).
atm(m161,a11,c,c3,6.599,2.912,1.008,-0.157).
atm(m161,a12,o,o3,7.076,1.337,-0.789,-0.306).
atm(m161,a13,h,h,2.647,-0.950,-0.024,0.107).
atm(m161,a14,h,h,0.166,-0.952,0.002,0.101).
atm(m161,a15,h,h,-1.086,1.195,0.054,0.102).
atm(m161,a16,h,h,0.153,3.353,0.072,0.101).
atm(m161,a17,h,h,2.653,3.355,0.032,0.110).
atm(m161,a18,h,h,4.631,1.293,1.104,0.065).
atm(m161,a19,h,h,4.681,0.220,-0.304,0.071).
atm(m161,a20,h,h,4.784,2.106,-1.861,0.066).
atm(m161,a21,h,h,4.359,3.269,-0.591,0.060).
atm(m161,a22,h,h,7.990,3.913,-1.137,0.041).
atm(m161,a23,h,h,6.857,3.452,-2.418,0.055).
atm(m161,a24,h,h,6.368,4.619,-1.179,0.049).
atm(m161,a25,h,h,6.164,3.894,1.231,0.050).
atm(m161,a26,h,h,6.099,2.173,1.656,0.060).
atm(m161,a27,h,h,7.660,2.947,1.289,0.044).
atm(m161,a28,h,h,7.996,1.485,-0.614,0.186).
bond(m161,a1,a2,ar).
bond(m161,a1,a6,ar).
bond(m161,a1,a13,1).
bond(m161,a2,a3,ar).
bond(m161,a2,a14,1).
bond(m161,a3,a4,ar).
bond(m161,a3,a15,1).
bond(m161,a4,a5,ar).
bond(m161,a4,a16,1).
bond(m161,a5,a6,ar).
bond(m161,a5,a17,1).
bond(m161,a6,a7,1).
bond(m161,a7,a8,1).
bond(m161,a7,a18,1).
bond(m161,a7,a19,1).
bond(m161,a8,a9,1).
bond(m161,a8,a20,1).
bond(m161,a8,a21,1).
bond(m161,a9,a10,1).
bond(m161,a9,a11,1).
bond(m161,a9,a12,1).
bond(m161,a10,a22,1).
bond(m161,a10,a23,1).
bond(m161,a10,a24,1).
bond(m161,a11,a25,1).
bond(m161,a11,a26,1).
bond(m161,a11,a27,1).
bond(m161,a12,a28,1).
atm(m162,a1,c,car,3.493,0.000,0.000,0.016).
atm(m162,a2,c,car,2.091,0.000,0.000,-0.160).
atm(m162,a3,c,car,1.402,1.212,0.000,-0.008).
atm(m162,a4,c,c3,0.000,1.212,0.000,-0.093).
atm(m162,a5,c,car,2.091,2.424,0.000,-0.156).
atm(m162,a6,c,car,3.493,2.424,0.000,0.005).
atm(m162,a7,c,car,4.194,1.212,0.000,-0.393).
atm(m162,a8,s,s3,5.596,1.212,0.000,0.134).
atm(m162,a9,s,s3,6.285,2.424,0.000,0.134).
atm(m162,a10,c,car,7.686,2.424,0.000,-0.393).
atm(m162,a11,c,car,8.387,3.635,0.000,0.016).
atm(m162,a12,c,car,9.789,3.635,0.000,-0.160).
atm(m162,a13,c,car,10.478,2.424,0.000,-0.008).
atm(m162,a14,c,c3,11.880,2.424,0.000,-0.093).
atm(m162,a15,c,car,9.789,1.212,0.000,-0.156).
atm(m162,a16,c,car,8.387,1.212,0.000,0.005).
atm(m162,a17,h,h,4.037,-0.944,0.000,0.118).
atm(m162,a18,h,h,1.543,-0.942,0.000,0.112).
atm(m162,a19,h,h,-0.363,1.212,1.028,0.063).
atm(m162,a20,h,h,-0.363,0.322,-0.514,0.055).
atm(m162,a21,h,h,-0.363,2.102,-0.514,0.055).
atm(m162,a22,h,h,1.543,3.366,0.000,0.112).
atm(m162,a23,h,h,4.037,3.368,0.000,0.139).
atm(m162,a24,h,h,7.843,4.580,0.000,0.118).
atm(m162,a25,h,h,10.337,4.577,0.000,0.112).
atm(m162,a26,h,h,12.243,3.314,0.514,0.055).
atm(m162,a27,h,h,12.243,1.534,0.514,0.055).
atm(m162,a28,h,h,12.243,2.424,-1.028,0.063).
atm(m162,a29,h,h,10.337,0.269,0.000,0.112).
atm(m162,a30,h,h,7.843,0.268,0.000,0.139).
bond(m162,a1,a2,ar).
bond(m162,a1,a7,ar).
bond(m162,a1,a17,1).
bond(m162,a2,a3,ar).
bond(m162,a2,a18,1).
bond(m162,a3,a4,1).
bond(m162,a3,a5,ar).
bond(m162,a4,a19,1).
bond(m162,a4,a20,1).
bond(m162,a4,a21,1).
bond(m162,a5,a6,ar).
bond(m162,a5,a22,1).
bond(m162,a6,a7,ar).
bond(m162,a6,a23,1).
bond(m162,a7,a8,1).
bond(m162,a8,a9,1).
bond(m162,a9,a10,1).
bond(m162,a10,a11,ar).
bond(m162,a10,a16,ar).
bond(m162,a11,a12,ar).
bond(m162,a11,a24,1).
bond(m162,a12,a13,ar).
bond(m162,a12,a25,1).
bond(m162,a13,a14,1).
bond(m162,a13,a15,ar).
bond(m162,a14,a26,1).
bond(m162,a14,a27,1).
bond(m162,a14,a28,1).
bond(m162,a15,a16,ar).
bond(m162,a15,a29,1).
bond(m162,a16,a30,1).
atm(m163,a1,o,o3,0.000,2.428,0.000,-0.307).
atm(m163,a2,c,c3,1.397,2.320,0.047,0.061).
atm(m163,a3,c,c3,1.850,0.919,0.486,-0.113).
atm(m163,a4,n,n3,3.336,0.849,0.561,-0.076).
atm(m163,a5,c,c3,3.987,0.901,-0.783,-0.109).
atm(m163,a6,c,c3,5.372,0.251,-0.784,-0.094).
atm(m163,a7,n,n3,6.083,0.371,0.505,-0.053).
atm(m163,a8,c,c3,5.315,-0.219,1.630,-0.087).
atm(m163,a9,c,c3,3.805,-0.298,1.388,-0.091).
atm(m163,a10,h,h,-0.325,2.303,0.883,0.182).
atm(m163,a11,h,h,1.693,2.545,-0.994,0.057).
atm(m163,a12,h,h,1.828,3.106,0.698,0.040).
atm(m163,a13,h,h,1.446,0.693,1.494,0.054).
atm(m163,a14,h,h,1.432,0.145,-0.194,0.049).
atm(m163,a15,h,h,4.055,1.978,-1.039,0.059).
atm(m163,a16,h,h,3.355,0.436,-1.570,0.048).
atm(m163,a17,h,h,6.006,0.698,-1.574,0.063).
atm(m163,a18,h,h,5.300,-0.831,-1.019,0.059).
atm(m163,a19,h,h,6.273,1.333,0.692,0.051).
atm(m163,a20,h,h,5.539,0.349,2.553,0.054).
atm(m163,a21,h,h,5.717,-1.240,1.790,0.057).
atm(m163,a22,h,h,3.534,-1.268,0.917,0.039).
atm(m163,a23,h,h,3.268,-0.265,2.357,0.059).
bond(m163,a1,a2,1).
bond(m163,a1,a10,1).
bond(m163,a2,a3,1).
bond(m163,a2,a11,1).
bond(m163,a2,a12,1).
bond(m163,a3,a4,1).
bond(m163,a3,a13,1).
bond(m163,a3,a14,1).
bond(m163,a4,a5,1).
bond(m163,a4,a9,1).
bond(m163,a5,a6,1).
bond(m163,a5,a15,1).
bond(m163,a5,a16,1).
bond(m163,a6,a7,1).
bond(m163,a6,a17,1).
bond(m163,a6,a18,1).
bond(m163,a7,a8,1).
bond(m163,a7,a19,1).
bond(m163,a8,a9,1).
bond(m163,a8,a20,1).
bond(m163,a8,a21,1).
bond(m163,a9,a22,1).
bond(m163,a9,a23,1).
atm(m164,a1,c,c3,1.212,2.097,0.000,-0.088).
atm(m164,a2,n,n3,0.862,0.664,0.096,-0.074).
atm(m164,a3,c,c3,-0.598,0.423,0.136,-0.098).
atm(m164,a4,c,c3,1.584,-0.193,-0.884,-0.033).
atm(m164,a5,c,car,1.513,0.226,-2.324,-0.107).
atm(m164,a6,c,car,0.295,0.262,-3.006,-0.107).
atm(m164,a7,c,car,0.251,0.614,-4.349,-0.099).
atm(m164,a8,c,car,1.424,0.933,-5.025,-0.101).
atm(m164,a9,c,car,2.641,0.902,-4.352,-0.101).
atm(m164,a10,c,car,2.686,0.551,-3.007,-0.092).
atm(m164,a11,h,h,2.303,2.204,0.045,0.046).
atm(m164,a12,h,h,0.856,2.575,-0.925,0.030).
atm(m164,a13,h,h,0.779,2.631,0.856,0.045).
atm(m164,a14,h,h,-0.777,-0.604,0.478,0.045).
atm(m164,a15,h,h,-1.068,1.110,0.851,0.048).
atm(m164,a16,h,h,-1.092,0.548,-0.845,0.030).
atm(m164,a17,h,h,2.639,-0.219,-0.542,0.062).
atm(m164,a18,h,h,1.195,-1.227,-0.786,0.064).
atm(m164,a19,h,h,-0.634,0.020,-2.466,0.114).
atm(m164,a20,h,h,-0.709,0.640,-4.875,0.103).
atm(m164,a21,h,h,1.390,1.208,-6.084,0.103).
atm(m164,a22,h,h,3.566,1.153,-4.881,0.103).
atm(m164,a23,h,h,3.649,0.529,-2.483,0.107).
bond(m164,a1,a2,1).
bond(m164,a1,a11,1).
bond(m164,a1,a12,1).
bond(m164,a1,a13,1).
bond(m164,a2,a3,1).
bond(m164,a2,a4,1).
bond(m164,a3,a14,1).
bond(m164,a3,a15,1).
bond(m164,a3,a16,1).
bond(m164,a4,a5,1).
bond(m164,a4,a17,1).
bond(m164,a4,a18,1).
bond(m164,a5,a6,ar).
bond(m164,a5,a10,ar).
bond(m164,a6,a7,ar).
bond(m164,a6,a19,1).
bond(m164,a7,a8,ar).
bond(m164,a7,a20,1).
bond(m164,a8,a9,ar).
bond(m164,a8,a21,1).
bond(m164,a9,a10,ar).
bond(m164,a9,a22,1).
bond(m164,a10,a23,1).
atm(m165,a1,c,car,2.420,0.000,0.000,-0.103).
atm(m165,a2,c,car,1.216,0.688,-0.007,-0.125).
atm(m165,a3,c,car,1.225,2.090,-0.006,0.080).
atm(m165,a4,o,o3,-0.002,2.699,-0.013,-0.228).
atm(m165,a5,c,car,2.432,2.800,0.007,-0.167).
atm(m165,a6,c,car,3.632,2.106,0.012,-0.098).
atm(m165,a7,c,car,3.632,0.706,0.007,-0.112).
atm(m165,a8,n,nam,4.864,-0.038,-0.054,0.063).
atm(m165,a9,c,c2,6.139,0.520,0.250,0.236).
atm(m165,a10,o,o2,6.302,1.733,0.233,-0.365).
atm(m165,a11,c,c3,7.254,-0.464,0.504,-0.145).
atm(m165,a12,h,h,2.405,-1.097,-0.002,0.105).
atm(m165,a13,h,h,0.266,0.141,-0.014,0.121).
atm(m165,a14,h,h,0.142,3.637,-0.019,0.197).
atm(m165,a15,h,h,2.442,3.897,0.011,0.112).
atm(m165,a16,h,h,4.612,2.627,0.034,0.166).
atm(m165,a17,h,h,4.761,-0.996,0.204,0.066).
atm(m165,a18,h,h,8.216,0.048,0.643,0.075).
atm(m165,a19,h,h,7.063,-1.057,1.408,0.059).
atm(m165,a20,h,h,7.372,-1.161,-0.337,0.065).
bond(m165,a1,a2,ar).
bond(m165,a1,a7,ar).
bond(m165,a1,a12,1).
bond(m165,a2,a3,ar).
bond(m165,a2,a13,1).
bond(m165,a3,a4,1).
bond(m165,a3,a5,ar).
bond(m165,a4,a14,1).
bond(m165,a5,a6,ar).
bond(m165,a5,a15,1).
bond(m165,a6,a7,ar).
bond(m165,a6,a16,1).
bond(m165,a7,a8,1).
bond(m165,a8,a9,1).
bond(m165,a8,a17,1).
bond(m165,a9,a10,2).
bond(m165,a9,a11,1).
bond(m165,a11,a18,1).
bond(m165,a11,a19,1).
bond(m165,a11,a20,1).
atm(m166,a1,n,npl3,8.493,2.803,0.000,0.071).
atm(m166,a2,c,car,7.233,2.125,0.031,-0.086).
atm(m166,a3,c,car,7.144,0.830,0.560,-0.142).
atm(m166,a4,c,car,5.905,0.217,0.686,-0.072).
atm(m166,a5,c,car,4.742,0.878,0.290,-0.109).
atm(m166,a6,c,c3,3.408,0.227,0.467,-0.048).
atm(m166,a7,c,c3,2.464,0.502,-0.695,-0.110).
atm(m166,a8,c,c3,1.061,0.000,-0.403,-0.096).
atm(m166,a9,c,c3,0.128,0.258,-1.565,-0.109).
atm(m166,a10,c,car,4.838,2.164,-0.245,-0.081).
atm(m166,a11,c,car,6.068,2.790,-0.377,-0.138).
atm(m166,a12,h,h,9.250,2.162,-0.086,0.029).
atm(m166,a13,h,h,8.521,3.488,-0.722,0.029).
atm(m166,a14,h,h,8.046,0.294,0.879,0.108).
atm(m166,a15,h,h,5.843,-0.795,1.102,0.103).
atm(m166,a16,h,h,3.528,-0.867,0.602,0.053).
atm(m166,a17,h,h,2.965,0.599,1.413,0.057).
atm(m166,a18,h,h,2.451,1.596,-0.907,0.057).
atm(m166,a19,h,h,2.853,0.029,-1.619,0.055).
atm(m166,a20,h,h,1.089,-1.084,-0.173,0.048).
atm(m166,a21,h,h,0.668,0.487,0.512,0.049).
atm(m166,a22,h,h,0.470,-0.247,-2.478,0.038).
atm(m166,a23,h,h,-0.886,-0.103,-1.350,0.037).
atm(m166,a24,h,h,0.053,1.329,-1.794,0.037).
atm(m166,a25,h,h,3.913,2.665,-0.572,0.110).
atm(m166,a26,h,h,6.117,3.800,-0.798,0.109).
bond(m166,a1,a2,1).
bond(m166,a1,a12,1).
bond(m166,a1,a13,1).
bond(m166,a2,a3,ar).
bond(m166,a2,a11,ar).
bond(m166,a3,a4,ar).
bond(m166,a3,a14,1).
bond(m166,a4,a5,ar).
bond(m166,a4,a15,1).
bond(m166,a5,a6,1).
bond(m166,a5,a10,ar).
bond(m166,a6,a7,1).
bond(m166,a6,a16,1).
bond(m166,a6,a17,1).
bond(m166,a7,a8,1).
bond(m166,a7,a18,1).
bond(m166,a7,a19,1).
bond(m166,a8,a9,1).
bond(m166,a8,a20,1).
bond(m166,a8,a21,1).
bond(m166,a9,a22,1).
bond(m166,a9,a23,1).
bond(m166,a9,a24,1).
bond(m166,a10,a11,ar).
bond(m166,a10,a25,1).
bond(m166,a11,a26,1).
atm(m167,a1,c,c3,0.000,0.000,0.000,-0.110).
atm(m167,a2,c,c3,1.273,0.825,-0.001,-0.096).
atm(m167,a3,c,c3,2.517,-0.038,0.126,-0.102).
atm(m167,a4,c,c3,3.784,0.803,0.118,-0.101).
atm(m167,a5,c,c3,5.025,-0.070,0.194,-0.102).
atm(m167,a6,c,c3,6.297,0.762,0.160,-0.101).
atm(m167,a7,c,c3,7.534,-0.120,0.203,-0.101).
atm(m167,a8,c,c3,8.809,0.707,0.147,-0.104).
atm(m167,a9,c,c3,10.036,-0.187,0.170,-0.046).
atm(m167,a10,c,car,11.357,0.513,0.104,-0.109).
atm(m167,a11,c,car,11.493,1.903,0.045,-0.068).
atm(m167,a12,c,car,12.749,2.495,-0.017,-0.139).
atm(m167,a13,c,car,13.890,1.682,-0.021,0.091).
atm(m167,a14,o,o3,15.095,2.329,-0.083,-0.228).
atm(m167,a15,c,car,13.772,0.285,0.037,-0.188).
atm(m167,a16,c,car,12.509,-0.283,0.098,-0.069).
atm(m167,a17,h,h,0.193,-1.073,-0.141,0.041).
atm(m167,a18,h,h,-0.565,0.097,0.938,0.036).
atm(m167,a19,h,h,-0.675,0.308,-0.808,0.035).
atm(m167,a20,h,h,1.336,1.425,-0.931,0.047).
atm(m167,a21,h,h,1.250,1.572,0.818,0.048).
atm(m167,a22,h,h,2.464,-0.645,1.053,0.051).
atm(m167,a23,h,h,2.550,-0.778,-0.700,0.051).
atm(m167,a24,h,h,3.813,1.429,-0.797,0.051).
atm(m167,a25,h,h,3.772,1.521,0.963,0.051).
atm(m167,a26,h,h,4.996,-0.690,1.113,0.051).
atm(m167,a27,h,h,5.028,-0.798,-0.644,0.051).
atm(m167,a28,h,h,6.308,1.394,-0.752,0.051).
atm(m167,a29,h,h,6.308,1.475,1.009,0.051).
atm(m167,a30,h,h,7.520,-0.745,1.119,0.051).
atm(m167,a31,h,h,7.513,-0.841,-0.640,0.051).
atm(m167,a32,h,h,8.804,1.338,-0.766,0.055).
atm(m167,a33,h,h,8.833,1.418,0.998,0.055).
atm(m167,a34,h,h,10.018,-0.812,1.088,0.055).
atm(m167,a35,h,h,9.984,-0.908,-0.674,0.055).
atm(m167,a36,h,h,10.607,2.549,0.046,0.109).
atm(m167,a37,h,h,12.844,3.586,-0.061,0.121).
atm(m167,a38,h,h,15.780,1.672,-0.079,0.196).
atm(m167,a39,h,h,14.661,-0.355,0.035,0.110).
atm(m167,a40,h,h,12.411,-1.374,0.138,0.103).
bond(m167,a1,a2,1).
bond(m167,a1,a17,1).
bond(m167,a1,a18,1).
bond(m167,a1,a19,1).
bond(m167,a2,a3,1).
bond(m167,a2,a20,1).
bond(m167,a2,a21,1).
bond(m167,a3,a4,1).
bond(m167,a3,a22,1).
bond(m167,a3,a23,1).
bond(m167,a4,a5,1).
bond(m167,a4,a24,1).
bond(m167,a4,a25,1).
bond(m167,a5,a6,1).
bond(m167,a5,a26,1).
bond(m167,a5,a27,1).
bond(m167,a6,a7,1).
bond(m167,a6,a28,1).
bond(m167,a6,a29,1).
bond(m167,a7,a8,1).
bond(m167,a7,a30,1).
bond(m167,a7,a31,1).
bond(m167,a8,a9,1).
bond(m167,a8,a32,1).
bond(m167,a8,a33,1).
bond(m167,a9,a10,1).
bond(m167,a9,a34,1).
bond(m167,a9,a35,1).
bond(m167,a10,a11,ar).
bond(m167,a10,a16,ar).
bond(m167,a11,a12,ar).
bond(m167,a11,a36,1).
bond(m167,a12,a13,ar).
bond(m167,a12,a37,1).
bond(m167,a13,a14,1).
bond(m167,a13,a15,ar).
bond(m167,a14,a38,1).
bond(m167,a15,a16,ar).
bond(m167,a15,a39,1).
bond(m167,a16,a40,1).
atm(m168,a1,n,npl3,14.734,4.862,0.000,0.053).
atm(m168,a2,c,car,14.027,3.639,0.000,-0.098).
atm(m168,a3,c,car,14.734,2.431,0.000,-0.144).
atm(m168,a4,c,car,14.027,1.208,0.000,-0.089).
atm(m168,a5,c,car,12.627,1.208,0.000,-0.080).
atm(m168,a6,c,c3,11.935,0.000,0.000,-0.057).
atm(m168,a7,c,c3,10.520,0.000,0.000,-0.094).
atm(m168,a8,c,c3,9.828,1.208,0.000,-0.152).
atm(m168,a9,c,c3,8.413,1.208,0.000,-0.105).
atm(m168,a10,c,c3,7.721,2.431,0.000,-0.098).
atm(m168,a11,c,c3,6.321,2.431,0.000,-0.099).
atm(m168,a12,c,c3,5.614,3.639,0.000,-0.098).
atm(m168,a13,c,c3,4.214,3.639,0.000,-0.097).
atm(m168,a14,c,c3,3.507,4.862,0.000,-0.098).
atm(m168,a15,c,c3,2.107,4.862,0.000,-0.102).
atm(m168,a16,c,c3,1.400,6.070,0.000,-0.107).
atm(m168,a17,c,c3,0.000,6.070,0.000,-0.107).
atm(m168,a18,c,car,11.935,2.431,0.000,-0.210).
atm(m168,a19,c,car,12.627,3.639,0.000,-0.102).
atm(m168,a20,h,h,15.737,4.675,0.000,0.028).
atm(m168,a21,h,h,14.488,5.397,-0.833,0.033).
atm(m168,a22,h,h,15.824,2.434,0.000,0.107).
atm(m168,a23,h,h,14.571,0.264,0.000,0.103).
atm(m168,a24,h,h,12.250,-0.544,-0.890,0.062).
atm(m168,a25,h,h,12.250,-0.544,0.890,0.064).
atm(m168,a26,h,h,10.205,-0.544,-0.890,0.050).
atm(m168,a27,h,h,10.205,-0.544,0.890,0.051).
atm(m168,a28,h,h,10.143,1.753,0.890,0.086).
atm(m168,a29,h,h,10.143,1.753,-0.890,0.084).
atm(m168,a30,h,h,8.096,0.665,-0.890,0.051).
atm(m168,a31,h,h,8.096,0.665,0.890,0.052).
atm(m168,a32,h,h,8.038,2.975,0.890,0.050).
atm(m168,a33,h,h,8.038,2.975,-0.890,0.049).
atm(m168,a34,h,h,6.008,1.885,-0.890,0.049).
atm(m168,a35,h,h,6.008,1.885,0.890,0.050).
atm(m168,a36,h,h,5.927,4.185,0.890,0.049).
atm(m168,a37,h,h,5.927,4.185,-0.890,0.049).
atm(m168,a38,h,h,3.900,3.094,-0.890,0.049).
atm(m168,a39,h,h,3.900,3.094,0.890,0.049).
atm(m168,a40,h,h,3.821,5.407,0.890,0.049).
atm(m168,a41,h,h,3.821,5.407,-0.890,0.049).
atm(m168,a42,h,h,1.794,4.316,-0.890,0.049).
atm(m168,a43,h,h,1.794,4.316,0.890,0.049).
atm(m168,a44,h,h,1.713,6.616,0.890,0.048).
atm(m168,a45,h,h,1.713,6.616,-0.890,0.047).
atm(m168,a46,h,h,-0.363,6.070,1.028,0.039).
atm(m168,a47,h,h,-0.363,5.181,-0.514,0.042).
atm(m168,a48,h,h,-0.363,6.960,-0.514,0.044).
atm(m168,a49,h,h,10.845,2.434,0.000,0.197).
atm(m168,a50,h,h,12.081,4.582,0.000,0.108).
bond(m168,a1,a2,1).
bond(m168,a1,a20,1).
bond(m168,a1,a21,1).
bond(m168,a2,a3,ar).
bond(m168,a2,a19,ar).
bond(m168,a3,a4,ar).
bond(m168,a3,a22,1).
bond(m168,a4,a5,ar).
bond(m168,a4,a23,1).
bond(m168,a5,a6,1).
bond(m168,a5,a18,ar).
bond(m168,a6,a7,1).
bond(m168,a6,a24,1).
bond(m168,a6,a25,1).
bond(m168,a7,a8,1).
bond(m168,a7,a26,1).
bond(m168,a7,a27,1).
bond(m168,a8,a9,1).
bond(m168,a8,a28,1).
bond(m168,a8,a29,1).
bond(m168,a9,a10,1).
bond(m168,a9,a30,1).
bond(m168,a9,a31,1).
bond(m168,a10,a11,1).
bond(m168,a10,a32,1).
bond(m168,a10,a33,1).
bond(m168,a11,a12,1).
bond(m168,a11,a34,1).
bond(m168,a11,a35,1).
bond(m168,a12,a13,1).
bond(m168,a12,a36,1).
bond(m168,a12,a37,1).
bond(m168,a13,a14,1).
bond(m168,a13,a38,1).
bond(m168,a13,a39,1).
bond(m168,a14,a15,1).
bond(m168,a14,a40,1).
bond(m168,a14,a41,1).
bond(m168,a15,a16,1).
bond(m168,a15,a42,1).
bond(m168,a15,a43,1).
bond(m168,a16,a17,1).
bond(m168,a16,a44,1).
bond(m168,a16,a45,1).
bond(m168,a17,a46,1).
bond(m168,a17,a47,1).
bond(m168,a17,a48,1).
bond(m168,a18,a19,ar).
bond(m168,a18,a49,1).
bond(m168,a19,a50,1).
atm(m169,a1,c,c3,6.306,1.211,0.000,-0.107).
atm(m169,a2,c,c3,4.801,1.255,0.128,-0.111).
atm(m169,a3,c,c3,4.201,-0.140,0.177,-0.097).
atm(m169,a4,c,c3,2.682,-0.172,0.090,-0.108).
atm(m169,a5,c,c3,1.927,0.912,0.866,-0.094).
atm(m169,a6,c,c3,0.420,0.692,0.706,-0.098).
atm(m169,a7,c,c3,-0.018,0.897,-0.728,-0.118).
atm(m169,a8,c,c3,2.348,0.917,2.342,0.060).
atm(m169,a9,o,o3,1.707,1.989,2.996,-0.310).
atm(m169,a10,h,h,6.734,2.221,-0.007,0.038).
atm(m169,a11,h,h,6.767,0.664,0.833,0.036).
atm(m169,a12,h,h,6.620,0.715,-0.928,0.038).
atm(m169,a13,h,h,4.511,1.796,1.059,0.059).
atm(m169,a14,h,h,4.363,1.832,-0.710,0.054).
atm(m169,a15,h,h,4.614,-0.754,-0.649,0.050).
atm(m169,a16,h,h,4.536,-0.644,1.107,0.045).
atm(m169,a17,h,h,2.357,-0.093,-0.974,0.059).
atm(m169,a18,h,h,2.336,-1.171,0.426,0.050).
atm(m169,a19,h,h,2.178,1.911,0.427,0.079).
atm(m169,a20,h,h,0.152,-0.329,1.046,0.046).
atm(m169,a21,h,h,-0.136,1.383,1.369,0.066).
atm(m169,a22,h,h,0.623,0.325,-1.419,0.042).
atm(m169,a23,h,h,-1.055,0.574,-0.883,0.038).
atm(m169,a24,h,h,0.047,1.952,-1.025,0.040).
atm(m169,a25,h,h,2.100,-0.047,2.827,0.025).
atm(m169,a26,h,h,3.451,1.065,2.401,0.035).
atm(m169,a27,h,h,1.897,1.887,3.918,0.184).
bond(m169,a1,a2,1).
bond(m169,a1,a10,1).
bond(m169,a1,a11,1).
bond(m169,a1,a12,1).
bond(m169,a2,a3,1).
bond(m169,a2,a13,1).
bond(m169,a2,a14,1).
bond(m169,a3,a4,1).
bond(m169,a3,a15,1).
bond(m169,a3,a16,1).
bond(m169,a4,a5,1).
bond(m169,a4,a17,1).
bond(m169,a4,a18,1).
bond(m169,a5,a6,1).
bond(m169,a5,a8,1).
bond(m169,a5,a19,1).
bond(m169,a6,a7,1).
bond(m169,a6,a20,1).
bond(m169,a6,a21,1).
bond(m169,a7,a22,1).
bond(m169,a7,a23,1).
bond(m169,a7,a24,1).
bond(m169,a8,a9,1).
bond(m169,a8,a25,1).
bond(m169,a8,a26,1).
bond(m169,a9,a27,1).
atm(m16,a1,o,o3,6.066,4.202,0.000,-0.227).
atm(m16,a2,c,car,4.870,3.597,0.000,0.292).
atm(m16,a3,c,car,4.674,2.193,-0.001,-0.564).
atm(m16,a4,n,n4,5.830,1.263,-0.001,1.335).
atm(m16,a5,o,oco2,6.952,1.763,-0.001,-0.640).
atm(m16,a6,o,oco2,5.674,0.066,-0.002,-0.556).
atm(m16,a7,c,car,3.365,1.684,-0.001,0.132).
atm(m16,a8,c,car,2.275,2.546,-0.001,-0.485).
atm(m16,a9,n,n4,0.879,1.998,-0.001,1.319).
atm(m16,a10,o,oco2,-0.058,2.769,0.000,-0.596).
atm(m16,a11,o,oco2,0.715,0.795,-0.001,-0.594).
atm(m16,a12,c,car,2.477,3.943,0.000,0.081).
atm(m16,a13,c,car,3.751,4.462,0.000,-0.202).
atm(m16,a14,h,h,6.776,3.549,0.000,0.268).
atm(m16,a15,h,h,3.208,0.590,-0.001,0.156).
atm(m16,a16,h,h,1.615,4.627,0.000,0.137).
atm(m16,a17,h,h,3.908,5.549,0.001,0.145).
bond(m16,a1,a2,1).
bond(m16,a1,a14,1).
bond(m16,a2,a3,ar).
bond(m16,a2,a13,ar).
bond(m16,a3,a4,1).
bond(m16,a3,a7,ar).
bond(m16,a4,a5,2).
bond(m16,a4,a6,1).
bond(m16,a7,a8,ar).
bond(m16,a7,a15,1).
bond(m16,a8,a9,1).
bond(m16,a8,a12,ar).
bond(m16,a9,a10,2).
bond(m16,a9,a11,1).
bond(m16,a12,a13,ar).
bond(m16,a12,a16,1).
bond(m16,a13,a17,1).
atm(m170,a1,cl,cl,6.288,1.207,0.000,0.077).
atm(m170,a2,c,car,4.606,1.206,0.000,-0.099).
atm(m170,a3,c,car,3.921,-0.009,-0.001,-0.122).
atm(m170,a4,c,car,2.533,-0.007,-0.001,-0.043).
atm(m170,a5,c,car,1.829,1.201,0.000,-0.204).
atm(m170,a6,c,c2,0.345,1.163,-0.001,0.327).
atm(m170,a7,o,o2,-0.352,2.151,0.000,-0.313).
atm(m170,a8,c,car,3.917,2.416,0.000,-0.122).
atm(m170,a9,c,car,2.526,2.411,0.000,-0.021).
atm(m170,a10,h,h,4.479,-0.951,-0.001,0.121).
atm(m170,a11,h,h,1.987,-0.959,-0.001,0.107).
atm(m170,a12,h,h,-0.117,0.161,-0.002,0.047).
atm(m170,a13,h,h,4.470,3.361,0.001,0.122).
atm(m170,a14,h,h,1.974,3.359,0.001,0.123).
bond(m170,a1,a2,1).
bond(m170,a2,a3,ar).
bond(m170,a2,a8,ar).
bond(m170,a3,a4,ar).
bond(m170,a3,a10,1).
bond(m170,a4,a5,ar).
bond(m170,a4,a11,1).
bond(m170,a5,a6,1).
bond(m170,a5,a9,ar).
bond(m170,a6,a7,2).
bond(m170,a6,a12,1).
bond(m170,a8,a9,ar).
bond(m170,a8,a13,1).
bond(m170,a9,a14,1).
atm(m171,a1,n,nar,4.194,2.421,0.000,-0.069).
atm(m171,a2,c,car,4.872,1.242,0.000,-0.044).
atm(m171,a3,c,c3,6.361,1.287,0.000,-0.065).
atm(m171,a4,c,car,4.183,0.023,-0.010,-0.147).
atm(m171,a5,c,car,2.794,0.024,-0.024,-0.073).
atm(m171,a6,c,car,2.099,1.237,-0.027,-0.125).
atm(m171,a7,c,c3,0.605,1.207,-0.042,-0.040).
atm(m171,a8,c,c3,-0.094,2.553,-0.042,-0.120).
atm(m171,a9,c,car,2.845,2.420,-0.014,-0.066).
atm(m171,a10,h,h,6.756,2.179,0.505,0.061).
atm(m171,a11,h,h,6.784,0.405,0.500,0.043).
atm(m171,a12,h,h,6.742,1.297,-1.031,0.052).
atm(m171,a13,h,h,4.738,-0.921,-0.007,0.115).
atm(m171,a14,h,h,2.243,-0.923,-0.033,0.108).
atm(m171,a15,h,h,0.290,0.622,-0.930,0.056).
atm(m171,a16,h,h,0.271,0.612,0.833,0.056).
atm(m171,a17,h,h,0.608,3.403,-0.034,0.052).
atm(m171,a18,h,h,-0.731,2.676,-0.928,0.041).
atm(m171,a19,h,h,-0.742,2.670,0.837,0.041).
atm(m171,a20,h,h,2.363,3.411,-0.013,0.127).
bond(m171,a1,a2,ar).
bond(m171,a1,a9,ar).
bond(m171,a2,a3,1).
bond(m171,a2,a4,ar).
bond(m171,a3,a10,1).
bond(m171,a3,a11,1).
bond(m171,a3,a12,1).
bond(m171,a4,a5,ar).
bond(m171,a4,a13,1).
bond(m171,a5,a6,ar).
bond(m171,a5,a14,1).
bond(m171,a6,a7,1).
bond(m171,a6,a9,ar).
bond(m171,a7,a8,1).
bond(m171,a7,a15,1).
bond(m171,a7,a16,1).
bond(m171,a8,a17,1).
bond(m171,a8,a18,1).
bond(m171,a8,a19,1).
bond(m171,a9,a20,1).
atm(m172,a1,c,c3,0.000,2.798,0.000,-0.172).
atm(m172,a2,c,c2,1.308,2.050,-0.015,0.276).
atm(m172,a3,o,o2,1.444,0.986,0.558,-0.311).
atm(m172,a4,c,c3,2.420,2.737,-0.779,-0.150).
atm(m172,a5,c,c3,3.556,1.814,-1.180,-0.103).
atm(m172,a6,c,c3,4.648,2.594,-1.907,-0.086).
atm(m172,a7,n,n3,5.803,1.710,-2.237,-0.078).
atm(m172,a8,c,c3,6.713,2.325,-3.248,-0.083).
atm(m172,a9,c,c3,6.033,2.448,-4.597,-0.115).
atm(m172,a10,c,c3,6.536,1.255,-1.018,-0.083).
atm(m172,a11,c,c3,7.463,0.098,-1.335,-0.115).
atm(m172,a12,h,h,0.154,3.842,0.302,0.058).
atm(m172,a13,h,h,-0.444,2.805,-1.004,0.063).
atm(m172,a14,h,h,-0.735,2.356,0.685,0.068).
atm(m172,a15,h,h,1.991,3.220,-1.681,0.066).
atm(m172,a16,h,h,2.797,3.565,-0.146,0.070).
atm(m172,a17,h,h,3.989,1.311,-0.285,0.074).
atm(m172,a18,h,h,3.172,0.996,-1.821,0.070).
atm(m172,a19,h,h,4.265,3.000,-2.871,0.063).
atm(m172,a20,h,h,4.968,3.470,-1.301,0.033).
atm(m172,a21,h,h,7.080,3.317,-2.907,0.031).
atm(m172,a22,h,h,7.607,1.665,-3.317,0.064).
atm(m172,a23,h,h,6.669,2.991,-5.306,0.039).
atm(m172,a24,h,h,5.807,1.468,-5.037,0.049).
atm(m172,a25,h,h,5.078,2.996,-4.511,0.042).
atm(m172,a26,h,h,7.104,2.091,-0.556,0.031).
atm(m172,a27,h,h,5.765,0.948,-0.274,0.066).
atm(m172,a28,h,h,6.911,-0.802,-1.636,0.050).
atm(m172,a29,h,h,8.148,0.353,-2.162,0.043).
atm(m172,a30,h,h,8.072,-0.164,-0.461,0.040).
bond(m172,a1,a2,1).
bond(m172,a1,a12,1).
bond(m172,a1,a13,1).
bond(m172,a1,a14,1).
bond(m172,a2,a3,2).
bond(m172,a2,a4,1).
bond(m172,a4,a5,1).
bond(m172,a4,a15,1).
bond(m172,a4,a16,1).
bond(m172,a5,a6,1).
bond(m172,a5,a17,1).
bond(m172,a5,a18,1).
bond(m172,a6,a7,1).
bond(m172,a6,a19,1).
bond(m172,a6,a20,1).
bond(m172,a7,a8,1).
bond(m172,a7,a10,1).
bond(m172,a8,a9,1).
bond(m172,a8,a21,1).
bond(m172,a8,a22,1).
bond(m172,a9,a23,1).
bond(m172,a9,a24,1).
bond(m172,a9,a25,1).
bond(m172,a10,a11,1).
bond(m172,a10,a26,1).
bond(m172,a10,a27,1).
bond(m172,a11,a28,1).
bond(m172,a11,a29,1).
bond(m172,a11,a30,1).
atm(m173,a1,c,c3,2.097,6.061,0.000,-0.148).
atm(m173,a2,c,c3,0.586,6.115,0.115,0.082).
atm(m173,a3,o,o3,-0.040,4.929,-0.362,-0.266).
atm(m173,a4,c,c2,-0.143,3.839,0.453,0.385).
atm(m173,a5,o,o2,0.309,3.867,1.579,-0.366).
atm(m173,a6,c,c3,-0.837,2.677,-0.227,-0.114).
atm(m173,a7,c,c2,-2.027,2.203,0.582,0.387).
atm(m173,a8,o,o2,-3.008,2.847,0.893,-0.369).
atm(m173,a9,o,o3,-1.926,0.894,0.939,-0.265).
atm(m173,a10,c,c3,-2.977,0.317,1.719,0.081).
atm(m173,a11,c,c3,-2.578,-1.123,1.978,-0.125).
atm(m173,a12,h,h,2.527,7.040,0.243,0.050).
atm(m173,a13,h,h,2.536,5.327,0.689,0.058).
atm(m173,a14,h,h,2.426,5.798,-1.014,0.048).
atm(m173,a15,h,h,0.263,6.356,1.145,0.059).
atm(m173,a16,h,h,0.146,6.861,-0.571,0.055).
atm(m173,a17,h,h,-1.194,2.951,-1.242,0.101).
atm(m173,a18,h,h,-0.093,1.867,-0.373,0.101).
atm(m173,a19,h,h,-3.095,0.884,2.661,0.052).
atm(m173,a20,h,h,-3.931,0.383,1.162,0.047).
atm(m173,a21,h,h,-1.630,-1.196,2.527,0.052).
atm(m173,a22,h,h,-3.348,-1.621,2.579,0.049).
atm(m173,a23,h,h,-2.462,-1.694,1.047,0.048).
bond(m173,a1,a2,1).
bond(m173,a1,a12,1).
bond(m173,a1,a13,1).
bond(m173,a1,a14,1).
bond(m173,a2,a3,1).
bond(m173,a2,a15,1).
bond(m173,a2,a16,1).
bond(m173,a3,a4,1).
bond(m173,a4,a5,2).
bond(m173,a4,a6,1).
bond(m173,a6,a7,1).
bond(m173,a6,a17,1).
bond(m173,a6,a18,1).
bond(m173,a7,a8,2).
bond(m173,a7,a9,1).
bond(m173,a9,a10,1).
bond(m173,a10,a11,1).
bond(m173,a10,a19,1).
bond(m173,a10,a20,1).
bond(m173,a11,a21,1).
bond(m173,a11,a22,1).
bond(m173,a11,a23,1).
atm(m174,a1,o,o3,4.852,2.800,0.000,-0.234).
atm(m174,a2,c,car,3.649,2.148,0.000,0.098).
atm(m174,a3,c,car,3.516,0.749,-0.001,-0.166).
atm(m174,a4,c,c3,4.688,-0.165,-0.001,-0.049).
atm(m174,a5,c,car,2.232,0.200,-0.001,-0.064).
atm(m174,a6,c,car,1.104,1.014,0.000,-0.112).
atm(m174,a7,c,c3,-0.260,0.424,0.000,-0.057).
atm(m174,a8,c,car,1.254,2.405,0.000,-0.072).
atm(m174,a9,c,car,2.516,2.976,0.000,-0.136).
atm(m174,a10,h,h,5.537,2.137,0.000,0.201).
atm(m174,a11,h,h,5.649,0.375,-0.001,0.030).
atm(m174,a12,h,h,4.679,-0.814,0.885,0.049).
atm(m174,a13,h,h,4.679,-0.814,-0.887,0.049).
atm(m174,a14,h,h,2.120,-0.891,-0.001,0.106).
atm(m174,a15,h,h,-0.238,-0.674,-0.001,0.041).
atm(m174,a16,h,h,-0.825,0.743,0.886,0.045).
atm(m174,a17,h,h,-0.825,0.744,-0.886,0.045).
atm(m174,a18,h,h,0.365,3.044,0.000,0.104).
atm(m174,a19,h,h,2.632,4.066,0.001,0.120).
bond(m174,a1,a2,1).
bond(m174,a1,a10,1).
bond(m174,a2,a3,ar).
bond(m174,a2,a9,ar).
bond(m174,a3,a4,1).
bond(m174,a3,a5,ar).
bond(m174,a4,a11,1).
bond(m174,a4,a12,1).
bond(m174,a4,a13,1).
bond(m174,a5,a6,ar).
bond(m174,a5,a14,1).
bond(m174,a6,a7,1).
bond(m174,a6,a8,ar).
bond(m174,a7,a15,1).
bond(m174,a7,a16,1).
bond(m174,a7,a17,1).
bond(m174,a8,a9,ar).
bond(m174,a8,a18,1).
bond(m174,a9,a19,1).
atm(m175,a1,c,c3,13.357,2.097,0.000,-0.109).
atm(m175,a2,c,c3,12.047,1.342,-0.010,-0.093).
atm(m175,a3,c,c3,10.861,2.292,0.001,-0.119).
atm(m175,a4,c,c3,9.555,1.504,-0.010,0.076).
atm(m175,a5,o,o3,8.503,2.471,0.002,-0.261).
atm(m175,a6,c,c2,7.215,2.027,-0.007,0.397).
atm(m175,a7,o,o2,6.986,0.832,-0.024,-0.373).
atm(m175,a8,c,c2,6.237,3.145,0.007,-0.102).
atm(m175,a9,c,c2,4.922,2.911,-0.002,-0.103).
atm(m175,a10,c,c2,3.942,4.028,0.010,0.395).
atm(m175,a11,o,o2,4.176,5.222,0.036,-0.370).
atm(m175,a12,o,o3,2.652,3.578,0.002,-0.260).
atm(m175,a13,c,c3,1.578,4.509,0.005,0.077).
atm(m175,a14,c,c3,1.262,5.034,-1.392,-0.140).
atm(m175,a15,c,c3,-0.012,5.864,-1.368,-0.091).
atm(m175,a16,c,c3,-0.347,6.398,-2.742,-0.109).
atm(m175,a17,h,h,14.212,1.410,-0.007,0.039).
atm(m175,a18,h,h,13.454,2.751,-0.877,0.039).
atm(m175,a19,h,h,13.453,2.731,0.892,0.040).
atm(m175,a20,h,h,11.996,0.684,-0.901,0.050).
atm(m175,a21,h,h,11.995,0.663,0.865,0.050).
atm(m175,a22,h,h,10.910,2.950,0.892,0.063).
atm(m175,a23,h,h,10.912,2.973,-0.873,0.063).
atm(m175,a24,h,h,9.470,0.869,-0.913,0.050).
atm(m175,a25,h,h,9.469,0.846,0.876,0.050).
atm(m175,a26,h,h,6.643,4.168,0.024,0.140).
atm(m175,a27,h,h,4.515,1.888,-0.020,0.140).
atm(m175,a28,h,h,0.763,3.876,0.401,0.057).
atm(m175,a29,h,h,1.753,5.335,0.720,0.058).
atm(m175,a30,h,h,2.105,5.645,-1.773,0.069).
atm(m175,a31,h,h,1.154,4.194,-2.107,0.061).
atm(m175,a32,h,h,-0.853,5.253,-0.984,0.047).
atm(m175,a33,h,h,0.098,6.702,-0.652,0.051).
atm(m175,a34,h,h,-0.498,5.587,-3.467,0.039).
atm(m175,a35,h,h,-1.266,6.997,-2.723,0.039).
atm(m175,a36,h,h,0.454,7.039,-3.133,0.041).
bond(m175,a1,a2,1).
bond(m175,a1,a17,1).
bond(m175,a1,a18,1).
bond(m175,a1,a19,1).
bond(m175,a2,a3,1).
bond(m175,a2,a20,1).
bond(m175,a2,a21,1).
bond(m175,a3,a4,1).
bond(m175,a3,a22,1).
bond(m175,a3,a23,1).
bond(m175,a4,a5,1).
bond(m175,a4,a24,1).
bond(m175,a4,a25,1).
bond(m175,a5,a6,1).
bond(m175,a6,a7,2).
bond(m175,a6,a8,1).
bond(m175,a8,a9,2).
bond(m175,a8,a26,1).
bond(m175,a9,a10,1).
bond(m175,a9,a27,1).
bond(m175,a10,a11,2).
bond(m175,a10,a12,1).
bond(m175,a12,a13,1).
bond(m175,a13,a14,1).
bond(m175,a13,a28,1).
bond(m175,a13,a29,1).
bond(m175,a14,a15,1).
bond(m175,a14,a30,1).
bond(m175,a14,a31,1).
bond(m175,a15,a16,1).
bond(m175,a15,a32,1).
bond(m175,a15,a33,1).
bond(m175,a16,a34,1).
bond(m175,a16,a35,1).
bond(m175,a16,a36,1).
atm(m176,a1,c,c3,0.000,1.400,0.000,-0.109).
atm(m176,a2,c,c3,0.970,2.556,0.099,-0.094).
atm(m176,a3,c,c3,2.411,2.074,0.050,-0.118).
atm(m176,a4,c,c3,3.367,3.259,0.152,0.075).
atm(m176,a5,o,o3,4.688,2.716,0.098,-0.270).
atm(m176,a6,c,c2,5.747,3.572,0.165,0.371).
atm(m176,a7,o,o2,5.544,4.765,0.276,-0.381).
atm(m176,a8,c,c3,7.081,2.862,0.066,-0.099).
atm(m176,a9,c,c3,8.007,3.225,1.216,-0.105).
atm(m176,a10,c,c3,7.565,2.589,2.526,-0.099).
atm(m176,a11,c,c3,8.498,2.938,3.676,-0.101).
atm(m176,a12,c,c2,9.834,2.240,3.523,0.369).
atm(m176,a13,o,o2,10.077,1.064,3.708,-0.377).
atm(m176,a14,o,o3,10.837,3.091,3.148,-0.269).
atm(m176,a15,c,c3,12.121,2.578,2.825,0.075).
atm(m176,a16,c,c3,12.170,2.018,1.405,-0.141).
atm(m176,a17,c,c3,13.606,1.739,0.993,-0.091).
atm(m176,a18,c,c3,13.678,1.169,-0.405,-0.109).
atm(m176,a19,h,h,0.127,0.843,-0.938,0.039).
atm(m176,a20,h,h,0.135,0.686,0.823,0.039).
atm(m176,a21,h,h,-1.040,1.750,0.036,0.039).
atm(m176,a22,h,h,0.785,3.277,-0.721,0.050).
atm(m176,a23,h,h,0.792,3.120,1.037,0.050).
atm(m176,a24,h,h,2.598,1.352,0.870,0.061).
atm(m176,a25,h,h,2.591,1.510,-0.887,0.061).
atm(m176,a26,h,h,3.220,3.973,-0.681,0.049).
atm(m176,a27,h,h,3.228,3.812,1.101,0.049).
atm(m176,a28,h,h,6.945,1.762,0.016,0.080).
atm(m176,a29,h,h,7.543,3.155,-0.898,0.076).
atm(m176,a30,h,h,9.037,2.893,0.968,0.061).
atm(m176,a31,h,h,8.068,4.326,1.327,0.075).
atm(m176,a32,h,h,6.541,2.931,2.778,0.060).
atm(m176,a33,h,h,7.493,1.488,2.414,0.067).
atm(m176,a34,h,h,8.628,4.037,3.748,0.080).
atm(m176,a35,h,h,8.048,2.620,4.637,0.077).
atm(m176,a36,h,h,12.739,3.488,2.930,0.056).
atm(m176,a37,h,h,12.468,1.835,3.568,0.059).
atm(m176,a38,h,h,11.568,1.089,1.339,0.068).
atm(m176,a39,h,h,11.698,2.726,0.693,0.059).
atm(m176,a40,h,h,14.204,2.670,1.054,0.048).
atm(m176,a41,h,h,14.073,1.037,1.713,0.051).
atm(m176,a42,h,h,14.715,0.968,-0.700,0.039).
atm(m176,a43,h,h,13.124,0.224,-0.487,0.040).
atm(m176,a44,h,h,13.254,1.860,-1.146,0.038).
bond(m176,a1,a2,1).
bond(m176,a1,a19,1).
bond(m176,a1,a20,1).
bond(m176,a1,a21,1).
bond(m176,a2,a3,1).
bond(m176,a2,a22,1).
bond(m176,a2,a23,1).
bond(m176,a3,a4,1).
bond(m176,a3,a24,1).
bond(m176,a3,a25,1).
bond(m176,a4,a5,1).
bond(m176,a4,a26,1).
bond(m176,a4,a27,1).
bond(m176,a5,a6,1).
bond(m176,a6,a7,2).
bond(m176,a6,a8,1).
bond(m176,a8,a9,1).
bond(m176,a8,a28,1).
bond(m176,a8,a29,1).
bond(m176,a9,a10,1).
bond(m176,a9,a30,1).
bond(m176,a9,a31,1).
bond(m176,a10,a11,1).
bond(m176,a10,a32,1).
bond(m176,a10,a33,1).
bond(m176,a11,a12,1).
bond(m176,a11,a34,1).
bond(m176,a11,a35,1).
bond(m176,a12,a13,2).
bond(m176,a12,a14,1).
bond(m176,a14,a15,1).
bond(m176,a15,a16,1).
bond(m176,a15,a36,1).
bond(m176,a15,a37,1).
bond(m176,a16,a17,1).
bond(m176,a16,a38,1).
bond(m176,a16,a39,1).
bond(m176,a17,a18,1).
bond(m176,a17,a40,1).
bond(m176,a17,a41,1).
bond(m176,a18,a42,1).
bond(m176,a18,a43,1).
bond(m176,a18,a44,1).
atm(m177,a1,n,npl3,0.000,1.210,0.000,0.076).
atm(m177,a2,c,car,1.416,1.303,-0.153,-0.072).
atm(m177,a3,c,car,2.124,2.319,0.511,-0.143).
atm(m177,a4,c,car,3.485,2.476,0.280,-0.050).
atm(m177,a5,c,car,4.102,1.612,-0.604,-0.144).
atm(m177,a6,br,br,5.932,1.823,-0.910,-0.006).
atm(m177,a7,c,car,3.441,0.601,-1.271,-0.050).
atm(m177,a8,c,car,2.079,0.441,-1.042,-0.143).
atm(m177,a9,h,h,-0.301,1.552,0.885,0.033).
atm(m177,a10,h,h,-0.331,0.285,-0.162,0.033).
atm(m177,a11,h,h,1.613,2.994,1.208,0.113).
atm(m177,a12,h,h,4.064,3.260,0.778,0.120).
atm(m177,a13,h,h,3.986,-0.052,-1.960,0.120).
atm(m177,a14,h,h,1.534,-0.356,-1.562,0.113).
bond(m177,a1,a2,1).
bond(m177,a1,a9,1).
bond(m177,a1,a10,1).
bond(m177,a2,a3,ar).
bond(m177,a2,a8,ar).
bond(m177,a3,a4,ar).
bond(m177,a3,a11,1).
bond(m177,a4,a5,ar).
bond(m177,a4,a12,1).
bond(m177,a5,a6,1).
bond(m177,a5,a7,ar).
bond(m177,a7,a8,ar).
bond(m177,a7,a13,1).
bond(m177,a8,a14,1).
atm(m178,a1,c,c3,0.000,1.210,0.000,-0.063).
atm(m178,a2,c,car,1.485,1.209,0.007,-0.081).
atm(m178,a3,c,car,2.191,2.412,0.000,-0.099).
atm(m178,a4,c,car,3.580,2.411,0.021,-0.100).
atm(m178,a5,c,car,4.284,1.206,0.048,-0.081).
atm(m178,a6,c,c3,5.769,1.204,0.054,-0.063).
atm(m178,a7,c,car,3.578,0.002,0.056,-0.100).
atm(m178,a8,c,car,2.189,0.003,0.034,-0.100).
atm(m178,a9,h,h,-0.388,1.210,1.028,0.047).
atm(m178,a10,h,h,-0.406,0.323,-0.506,0.044).
atm(m178,a11,h,h,-0.405,2.095,-0.507,0.044).
atm(m178,a12,h,h,1.647,3.363,-0.023,0.104).
atm(m178,a13,h,h,4.127,3.361,0.017,0.104).
atm(m178,a14,h,h,6.176,2.096,0.548,0.044).
atm(m178,a15,h,h,6.174,0.324,0.571,0.044).
atm(m178,a16,h,h,6.155,1.191,-0.974,0.047).
atm(m178,a17,h,h,4.122,-0.948,0.079,0.104).
atm(m178,a18,h,h,1.642,-0.946,0.038,0.104).
bond(m178,a1,a2,1).
bond(m178,a1,a9,1).
bond(m178,a1,a10,1).
bond(m178,a1,a11,1).
bond(m178,a2,a3,ar).
bond(m178,a2,a8,ar).
bond(m178,a3,a4,ar).
bond(m178,a3,a12,1).
bond(m178,a4,a5,ar).
bond(m178,a4,a13,1).
bond(m178,a5,a6,1).
bond(m178,a5,a7,ar).
bond(m178,a6,a14,1).
bond(m178,a6,a15,1).
bond(m178,a6,a16,1).
bond(m178,a7,a8,ar).
bond(m178,a7,a17,1).
bond(m178,a8,a18,1).
atm(m179,a1,o,o3,0.000,1.210,0.000,-0.228).
atm(m179,a2,c,car,1.352,1.284,-0.198,0.092).
atm(m179,a3,c,car,2.206,2.027,0.628,-0.191).
atm(m179,a4,c,car,3.567,2.046,0.352,-0.061).
atm(m179,a5,c,car,4.083,1.337,-0.733,-0.116).
atm(m179,a6,c,c3,5.538,1.377,-1.029,-0.058).
atm(m179,a7,c,car,3.220,0.599,-1.547,-0.065).
atm(m179,a8,c,car,1.857,0.566,-1.291,-0.139).
atm(m179,a9,h,h,-0.211,1.734,0.763,0.196).
atm(m179,a10,h,h,1.814,2.588,1.484,0.110).
atm(m179,a11,h,h,4.241,2.624,0.995,0.104).
atm(m179,a12,h,h,6.136,1.522,-0.119,0.043).
atm(m179,a13,h,h,5.882,0.450,-1.507,0.043).
atm(m179,a14,h,h,5.768,2.206,-1.712,0.045).
atm(m179,a15,h,h,3.625,0.039,-2.398,0.104).
atm(m179,a16,h,h,1.184,-0.014,-1.932,0.121).
bond(m179,a1,a2,1).
bond(m179,a1,a9,1).
bond(m179,a2,a3,ar).
bond(m179,a2,a8,ar).
bond(m179,a3,a4,ar).
bond(m179,a3,a10,1).
bond(m179,a4,a5,ar).
bond(m179,a4,a11,1).
bond(m179,a5,a6,1).
bond(m179,a5,a7,ar).
bond(m179,a6,a12,1).
bond(m179,a6,a13,1).
bond(m179,a6,a14,1).
bond(m179,a7,a8,ar).
bond(m179,a7,a15,1).
bond(m179,a8,a16,1).
atm(m17,a1,o,o2,3.639,2.101,0.000,-0.411).
atm(m17,a2,c,c2,3.639,0.881,0.043,0.322).
atm(m17,a3,n,nam,4.800,0.067,0.090,0.035).
atm(m17,a4,o,o3,2.506,0.119,-0.009,-0.268).
atm(m17,a5,c,c3,1.263,0.760,-0.272,0.090).
atm(m17,a6,c,c3,1.051,1.038,-1.748,-0.149).
atm(m17,a7,h,h,5.589,0.536,0.474,0.058).
atm(m17,a8,h,h,4.664,-0.837,0.481,0.055).
atm(m17,a9,h,h,0.562,-0.002,0.111,0.052).
atm(m17,a10,h,h,1.148,1.677,0.336,0.057).
atm(m17,a11,h,h,1.752,1.794,-2.127,0.061).
atm(m17,a12,h,h,1.179,0.135,-2.360,0.049).
atm(m17,a13,h,h,0.035,1.413,-1.918,0.049).
bond(m17,a1,a2,2).
bond(m17,a2,a3,1).
bond(m17,a2,a4,1).
bond(m17,a3,a7,1).
bond(m17,a3,a8,1).
bond(m17,a4,a5,1).
bond(m17,a5,a6,1).
bond(m17,a5,a9,1).
bond(m17,a5,a10,1).
bond(m17,a6,a11,1).
bond(m17,a6,a12,1).
bond(m17,a6,a13,1).
atm(m180,a1,n,npl3,0.000,1.210,0.000,0.075).
atm(m180,a2,c,car,1.417,1.299,-0.153,-0.079).
atm(m180,a3,c,car,2.131,2.311,0.507,-0.136).
atm(m180,a4,c,car,3.490,2.463,0.275,-0.071).
atm(m180,a5,c,car,4.139,1.607,-0.611,-0.158).
atm(m180,a6,cl,cl,5.793,1.794,-0.889,0.060).
atm(m180,a7,c,car,3.442,0.598,-1.269,-0.071).
atm(m180,a8,c,car,2.082,0.440,-1.041,-0.136).
atm(m180,a9,h,h,-0.298,1.550,0.887,0.032).
atm(m180,a10,h,h,-0.331,0.284,-0.161,0.032).
atm(m180,a11,h,h,1.625,2.988,1.206,0.112).
atm(m180,a12,h,h,4.056,3.252,0.784,0.114).
atm(m180,a13,h,h,3.969,-0.066,-1.963,0.114).
atm(m180,a14,h,h,1.537,-0.356,-1.563,0.112).
bond(m180,a1,a2,1).
bond(m180,a1,a9,1).
bond(m180,a1,a10,1).
bond(m180,a2,a3,ar).
bond(m180,a2,a8,ar).
bond(m180,a3,a4,ar).
bond(m180,a3,a11,1).
bond(m180,a4,a5,ar).
bond(m180,a4,a12,1).
bond(m180,a5,a6,1).
bond(m180,a5,a7,ar).
bond(m180,a7,a8,ar).
bond(m180,a7,a13,1).
bond(m180,a8,a14,1).
atm(m181,a1,o,o3,0.000,1.210,0.000,-0.224).
atm(m181,a2,c,car,1.337,1.427,-0.186,0.100).
atm(m181,a3,c,car,2.116,2.192,0.693,-0.185).
atm(m181,a4,c,car,3.468,2.362,0.429,-0.059).
atm(m181,a5,c,car,4.030,1.773,-0.701,-0.166).
atm(m181,a6,cl,cl,5.674,1.984,-1.017,0.063).
atm(m181,a7,c,car,3.256,1.012,-1.577,-0.064).
atm(m181,a8,c,car,1.904,0.834,-1.325,-0.132).
atm(m181,a9,h,h,-0.261,1.657,0.795,0.198).
atm(m181,a10,h,h,1.672,2.654,1.583,0.113).
atm(m181,a11,h,h,4.095,2.956,1.103,0.115).
atm(m181,a12,h,h,3.720,0.559,-2.459,0.116).
atm(m181,a13,h,h,1.285,0.238,-2.006,0.124).
bond(m181,a1,a2,1).
bond(m181,a1,a9,1).
bond(m181,a2,a3,ar).
bond(m181,a2,a8,ar).
bond(m181,a3,a4,ar).
bond(m181,a3,a10,1).
bond(m181,a4,a5,ar).
bond(m181,a4,a11,1).
bond(m181,a5,a6,1).
bond(m181,a5,a7,ar).
bond(m181,a7,a8,ar).
bond(m181,a7,a12,1).
bond(m181,a8,a13,1).
atm(m182,a1,n,npl3,0.000,1.210,0.000,0.071).
atm(m182,a2,c,car,1.419,1.306,-0.150,-0.086).
atm(m182,a3,c,car,2.130,2.312,0.520,-0.141).
atm(m182,a4,c,car,3.490,2.467,0.291,-0.073).
atm(m182,a5,c,car,4.161,1.628,-0.600,-0.109).
atm(m182,a6,c,c3,5.613,1.810,-0.853,-0.058).
atm(m182,a7,c,car,3.451,0.624,-1.260,-0.073).
atm(m182,a8,c,car,2.091,0.458,-1.041,-0.141).
atm(m182,a9,h,h,-0.296,1.538,0.892,0.029).
atm(m182,a10,h,h,-0.322,0.282,-0.164,0.029).
atm(m182,a11,h,h,1.621,2.982,1.222,0.108).
atm(m182,a12,h,h,4.042,3.255,0.815,0.103).
atm(m182,a13,h,h,6.132,2.217,0.025,0.042).
atm(m182,a14,h,h,6.103,0.864,-1.120,0.042).
atm(m182,a15,h,h,5.773,2.511,-1.684,0.045).
atm(m182,a16,h,h,3.973,-0.041,-1.959,0.103).
atm(m182,a17,h,h,1.552,-0.337,-1.570,0.108).
bond(m182,a1,a2,1).
bond(m182,a1,a9,1).
bond(m182,a1,a10,1).
bond(m182,a2,a3,ar).
bond(m182,a2,a8,ar).
bond(m182,a3,a4,ar).
bond(m182,a3,a11,1).
bond(m182,a4,a5,ar).
bond(m182,a4,a12,1).
bond(m182,a5,a6,1).
bond(m182,a5,a7,ar).
bond(m182,a6,a13,1).
bond(m182,a6,a14,1).
bond(m182,a6,a15,1).
bond(m182,a7,a8,ar).
bond(m182,a7,a16,1).
bond(m182,a8,a17,1).
atm(m183,a1,c,c2,7.249,1.392,0.000,-0.060).
atm(m183,a2,c,c2,6.105,2.069,-0.005,-0.184).
atm(m183,a3,c,c2,4.794,1.379,0.002,0.406).
atm(m183,a4,o,o2,4.573,0.182,0.016,-0.385).
atm(m183,a5,o,o3,3.748,2.256,-0.011,-0.265).
atm(m183,a6,c,c3,2.421,1.728,0.000,0.071).
atm(m183,a7,c,c3,1.462,2.928,0.023,-0.088).
atm(m183,a8,c,c3,0.079,2.467,-0.410,-0.111).
atm(m183,a9,c,c3,1.399,3.555,1.406,-0.111).
atm(m183,a10,h,h,8.215,1.889,-0.006,0.079).
atm(m183,a11,h,h,7.302,0.305,0.010,0.096).
atm(m183,a12,h,h,6.086,3.166,-0.016,0.122).
atm(m183,a13,h,h,2.268,1.111,-0.906,0.050).
atm(m183,a14,h,h,2.276,1.077,0.884,0.053).
atm(m183,a15,h,h,1.821,3.700,-0.701,0.074).
atm(m183,a16,h,h,0.088,2.062,-1.431,0.041).
atm(m183,a17,h,h,-0.312,1.683,0.252,0.042).
atm(m183,a18,h,h,-0.638,3.298,-0.392,0.043).
atm(m183,a19,h,h,2.386,3.907,1.732,0.047).
atm(m183,a20,h,h,0.720,4.417,1.419,0.040).
atm(m183,a21,h,h,1.038,2.841,2.159,0.040).
bond(m183,a1,a2,2).
bond(m183,a1,a10,1).
bond(m183,a1,a11,1).
bond(m183,a2,a3,1).
bond(m183,a2,a12,1).
bond(m183,a3,a4,2).
bond(m183,a3,a5,1).
bond(m183,a5,a6,1).
bond(m183,a6,a7,1).
bond(m183,a6,a13,1).
bond(m183,a6,a14,1).
bond(m183,a7,a8,1).
bond(m183,a7,a9,1).
bond(m183,a7,a15,1).
bond(m183,a8,a16,1).
bond(m183,a8,a17,1).
bond(m183,a8,a18,1).
bond(m183,a9,a19,1).
bond(m183,a9,a20,1).
bond(m183,a9,a21,1).
atm(m184,a1,br,br,0.000,0.699,0.000,-0.140).
atm(m184,a2,c,c3,1.696,-0.276,-0.002,-0.032).
atm(m184,a3,c,c3,2.740,0.799,0.004,-0.124).
atm(m184,a4,c,c3,4.134,0.214,0.002,-0.106).
atm(m184,a5,h,h,1.711,-0.920,0.890,0.069).
atm(m184,a6,h,h,1.714,-0.912,-0.900,0.069).
atm(m184,a7,h,h,2.596,1.458,-0.875,0.070).
atm(m184,a8,h,h,2.594,1.450,0.889,0.070).
atm(m184,a9,h,h,4.894,1.005,0.006,0.045).
atm(m184,a10,h,h,4.310,-0.416,0.885,0.040).
atm(m184,a11,h,h,4.312,-0.408,-0.885,0.040).
bond(m184,a1,a2,1).
bond(m184,a2,a3,1).
bond(m184,a2,a5,1).
bond(m184,a2,a6,1).
bond(m184,a3,a4,1).
bond(m184,a3,a7,1).
bond(m184,a3,a8,1).
bond(m184,a4,a9,1).
bond(m184,a4,a10,1).
bond(m184,a4,a11,1).
atm(m185,a1,c,c2,0.000,0.699,0.000,-0.080).
atm(m185,a2,c,c2,1.150,0.033,0.000,-0.238).
atm(m185,a3,c,c2,2.450,0.743,0.000,0.304).
atm(m185,a4,o,o2,3.510,0.157,0.000,-0.310).
atm(m185,a5,h,h,-0.058,1.786,0.000,0.078).
atm(m185,a6,h,h,-0.966,0.203,0.000,0.081).
atm(m185,a7,h,h,1.177,-1.064,0.000,0.121).
atm(m185,a8,h,h,2.424,1.846,0.000,0.044).
bond(m185,a1,a2,2).
bond(m185,a1,a5,1).
bond(m185,a1,a6,1).
bond(m185,a2,a3,1).
bond(m185,a2,a7,1).
bond(m185,a3,a4,2).
bond(m185,a3,a8,1).
atm(m186,a1,cl,cl,0.000,0.699,0.000,-0.052).
atm(m186,a2,c,c3,1.539,-0.188,0.000,-0.099).
atm(m186,a3,c,c3,2.667,0.809,0.000,-0.099).
atm(m186,a4,cl,cl,4.206,-0.078,0.002,-0.052).
atm(m186,a5,h,h,1.572,-0.842,0.889,0.076).
atm(m186,a6,h,h,1.572,-0.842,-0.889,0.076).
atm(m186,a7,h,h,2.635,1.463,-0.889,0.076).
atm(m186,a8,h,h,2.633,1.464,0.889,0.076).
bond(m186,a1,a2,1).
bond(m186,a2,a3,1).
bond(m186,a2,a5,1).
bond(m186,a2,a6,1).
bond(m186,a3,a4,1).
bond(m186,a3,a7,1).
bond(m186,a3,a8,1).
atm(m187,a1,cl,cl,0.000,0.699,0.000,-0.066).
atm(m187,a2,c,c3,1.539,-0.188,0.000,-0.088).
atm(m187,a3,c,c3,2.668,0.832,0.000,0.057).
atm(m187,a4,o,o3,3.880,0.113,0.001,-0.309).
atm(m187,a5,h,h,1.570,-0.843,0.889,0.073).
atm(m187,a6,h,h,1.570,-0.843,-0.889,0.073).
atm(m187,a7,h,h,2.602,1.484,-0.893,0.034).
atm(m187,a8,h,h,2.601,1.485,0.892,0.034).
atm(m187,a9,h,h,4.574,0.757,0.000,0.192).
bond(m187,a1,a2,1).
bond(m187,a2,a3,1).
bond(m187,a2,a5,1).
bond(m187,a2,a6,1).
bond(m187,a3,a4,1).
bond(m187,a3,a7,1).
bond(m187,a3,a8,1).
bond(m187,a4,a9,1).
atm(m188,a1,c,c3,0.000,0.699,0.000,-0.109).
atm(m188,a2,c,c3,1.310,-0.057,0.000,-0.100).
atm(m188,a3,c,c3,2.326,0.614,0.917,-0.104).
atm(m188,a4,n,n3,3.628,-0.085,0.866,-0.036).
atm(m188,a5,h,h,0.128,1.732,-0.350,0.039).
atm(m188,a6,h,h,-0.736,0.220,-0.658,0.038).
atm(m188,a7,h,h,-0.442,0.748,1.004,0.036).
atm(m188,a8,h,h,1.137,-1.105,0.317,0.046).
atm(m188,a9,h,h,1.708,-0.121,-1.033,0.062).
atm(m188,a10,h,h,2.502,1.660,0.591,0.055).
atm(m188,a11,h,h,1.913,0.680,1.948,0.026).
atm(m188,a12,h,h,4.258,0.344,1.511,0.023).
atm(m188,a13,h,h,3.507,-1.044,1.118,0.022).
bond(m188,a1,a2,1).
bond(m188,a1,a5,1).
bond(m188,a1,a6,1).
bond(m188,a1,a7,1).
bond(m188,a2,a3,1).
bond(m188,a2,a8,1).
bond(m188,a2,a9,1).
bond(m188,a3,a4,1).
bond(m188,a3,a10,1).
bond(m188,a3,a11,1).
bond(m188,a4,a12,1).
bond(m188,a4,a13,1).
atm(m189,a1,c,c3,0.000,1.211,0.000,-0.114).
atm(m189,a2,c,c3,0.880,0.023,0.331,0.057).
atm(m189,a3,c,c1,1.720,-0.345,-0.790,-0.158).
atm(m189,a4,n,n1,2.393,-0.640,-1.687,-0.069).
atm(m189,a5,h,h,0.591,2.098,-0.261,0.050).
atm(m189,a6,h,h,-0.669,1.002,-0.845,0.050).
atm(m189,a7,h,h,-0.629,1.476,0.860,0.047).
atm(m189,a8,h,h,1.534,0.243,1.200,0.068).
atm(m189,a9,h,h,0.269,-0.858,0.613,0.068).
bond(m189,a1,a2,1).
bond(m189,a1,a5,1).
bond(m189,a1,a6,1).
bond(m189,a1,a7,1).
bond(m189,a2,a3,1).
bond(m189,a2,a8,1).
bond(m189,a2,a9,1).
bond(m189,a3,a4,3).
atm(m18,a1,c,car,2.795,2.423,0.000,0.134).
atm(m18,a2,o,o3,2.112,3.611,0.000,-0.252).
atm(m18,a3,c,car,4.196,2.376,0.000,-0.203).
atm(m18,a4,c,car,4.835,1.144,0.000,-0.028).
atm(m18,a5,c,car,4.091,-0.032,0.000,-0.150).
atm(m18,a6,c,car,2.702,0.018,0.000,-0.002).
atm(m18,a7,c,car,2.028,1.243,0.000,-0.193).
atm(m18,a8,c,c2,0.539,1.234,0.000,0.425).
atm(m18,a9,o,o2,-0.178,0.251,0.000,-0.357).
atm(m18,a10,o,o3,-0.201,2.361,0.000,-0.280).
atm(m18,a11,h,h,2.741,4.322,0.000,0.219).
atm(m18,a12,h,h,4.787,3.300,0.000,0.117).
atm(m18,a13,h,h,5.929,1.100,0.000,0.106).
atm(m18,a14,h,h,4.600,-1.001,0.000,0.115).
atm(m18,a15,h,h,2.121,-0.915,0.000,0.129).
atm(m18,a16,h,h,0.356,3.137,0.000,0.220).
bond(m18,a1,a2,1).
bond(m18,a1,a3,ar).
bond(m18,a1,a7,ar).
bond(m18,a2,a11,1).
bond(m18,a3,a4,ar).
bond(m18,a3,a12,1).
bond(m18,a4,a5,ar).
bond(m18,a4,a13,1).
bond(m18,a5,a6,ar).
bond(m18,a5,a14,1).
bond(m18,a6,a7,ar).
bond(m18,a6,a15,1).
bond(m18,a7,a8,1).
bond(m18,a8,a9,2).
bond(m18,a8,a10,1).
bond(m18,a10,a16,1).
atm(m190,a1,cl,cl,0.000,1.211,0.000,-0.014).
atm(m190,a2,c,c3,0.891,-0.328,0.000,0.058).
atm(m190,a3,c,c1,2.306,-0.056,0.000,-0.185).
atm(m190,a4,n,n1,3.443,0.166,0.000,-0.023).
atm(m190,a5,h,h,0.611,-0.913,0.895,0.082).
atm(m190,a6,h,h,0.612,-0.913,-0.896,0.082).
bond(m190,a1,a2,1).
bond(m190,a2,a3,1).
bond(m190,a2,a5,1).
bond(m190,a2,a6,1).
bond(m190,a3,a4,3).
atm(m191,a1,n,n3,0.000,0.699,0.000,-0.031).
atm(m191,a2,c,c3,1.249,-0.082,-0.004,-0.114).
atm(m191,a3,c,c3,2.387,0.565,-0.800,-0.132).
atm(m191,a4,n,n3,3.568,-0.324,-0.831,-0.027).
atm(m191,a5,h,h,0.170,1.612,0.369,0.021).
atm(m191,a6,h,h,-0.348,0.789,-0.932,0.024).
atm(m191,a7,h,h,1.547,-0.231,1.054,0.058).
atm(m191,a8,h,h,1.013,-1.088,-0.403,0.073).
atm(m191,a9,h,h,2.081,0.732,-1.853,0.055).
atm(m191,a10,h,h,2.618,1.572,-0.386,0.025).
atm(m191,a11,h,h,4.315,0.137,-1.304,0.025).
atm(m191,a12,h,h,3.854,-0.538,0.102,0.024).
bond(m191,a1,a2,1).
bond(m191,a1,a5,1).
bond(m191,a1,a6,1).
bond(m191,a2,a3,1).
bond(m191,a2,a7,1).
bond(m191,a2,a8,1).
bond(m191,a3,a4,1).
bond(m191,a3,a9,1).
bond(m191,a3,a10,1).
bond(m191,a4,a11,1).
bond(m191,a4,a12,1).
atm(m192,a1,o,o3,0.000,0.699,0.000,-0.320).
atm(m192,a2,c,c3,1.194,-0.044,0.000,0.099).
atm(m192,a3,c,c2,2.453,0.763,0.001,-0.184).
atm(m192,a4,c,c2,3.654,0.197,-0.001,-0.146).
atm(m192,a5,h,h,0.222,1.622,-0.001,0.191).
atm(m192,a6,h,h,1.140,-0.696,0.893,0.047).
atm(m192,a7,h,h,1.141,-0.695,-0.893,0.047).
atm(m192,a8,h,h,2.344,1.856,0.003,0.101).
atm(m192,a9,h,h,4.574,0.774,0.000,0.082).
atm(m192,a10,h,h,3.801,-0.879,-0.003,0.084).
bond(m192,a1,a2,1).
bond(m192,a1,a5,1).
bond(m192,a2,a3,1).
bond(m192,a2,a6,1).
bond(m192,a2,a7,1).
bond(m192,a3,a4,2).
bond(m192,a3,a8,1).
bond(m192,a4,a9,1).
bond(m192,a4,a10,1).
atm(m193,a1,c,c3,0.700,0.000,0.000,0.218).
atm(m193,a2,o,o3,-0.015,1.215,-0.004,-0.320).
atm(m193,a3,c,c1,2.141,0.140,-0.001,-0.244).
atm(m193,a4,c,c1,3.327,0.250,0.006,-0.145).
atm(m193,a5,h,h,0.370,-0.555,0.899,0.048).
atm(m193,a6,h,h,0.369,-0.561,-0.894,0.048).
atm(m193,a7,h,h,0.605,1.931,-0.006,0.198).
atm(m193,a8,h,h,4.387,0.349,0.013,0.197).
bond(m193,a1,a2,1).
bond(m193,a1,a3,1).
bond(m193,a1,a5,1).
bond(m193,a1,a6,1).
bond(m193,a2,a7,1).
bond(m193,a3,a4,3).
bond(m193,a4,a8,1).
atm(m194,a1,c,c3,0.000,0.699,0.000,-0.083).
atm(m194,a2,c,c2,1.265,-0.080,0.000,-0.101).
atm(m194,a3,n,n2,2.403,0.538,0.000,-0.027).
atm(m194,a4,o,o3,3.548,-0.274,0.000,-0.268).
atm(m194,a5,h,h,0.145,1.788,0.000,0.059).
atm(m194,a6,h,h,-0.597,0.443,-0.886,0.050).
atm(m194,a7,h,h,-0.597,0.444,0.886,0.050).
atm(m194,a8,h,h,1.185,-1.179,0.000,0.105).
atm(m194,a9,h,h,4.234,0.383,0.000,0.214).
bond(m194,a1,a2,1).
bond(m194,a1,a5,1).
bond(m194,a1,a6,1).
bond(m194,a1,a7,1).
bond(m194,a2,a3,2).
bond(m194,a2,a8,1).
bond(m194,a3,a4,1).
bond(m194,a4,a9,1).
atm(m195,a1,c,c3,2.941,2.426,0.000,-0.158).
atm(m195,a2,c,c3,3.688,1.086,-0.030,0.115).
atm(m195,a3,c,c3,2.702,-0.097,-0.155,-0.150).
atm(m195,a4,c,c3,1.746,0.008,-1.360,0.070).
atm(m195,a5,o,o3,0.462,-0.481,-1.041,-0.308).
atm(m195,a6,c,c3,2.312,-0.685,-2.597,-0.161).
atm(m195,a7,c,c3,4.716,1.081,-1.169,-0.163).
atm(m195,a8,o,o3,4.351,0.868,1.216,-0.312).
atm(m195,a9,h,h,3.630,3.280,0.006,0.043).
atm(m195,a10,h,h,2.291,2.523,-0.885,0.058).
atm(m195,a11,h,h,2.300,2.509,0.888,0.059).
atm(m195,a12,h,h,3.276,-1.045,-0.205,0.065).
atm(m195,a13,h,h,2.109,-0.157,0.782,0.079).
atm(m195,a14,h,h,1.524,1.084,-1.582,0.079).
atm(m195,a15,h,h,0.553,-1.404,-0.840,0.183).
atm(m195,a16,h,h,3.256,-0.204,-2.903,0.056).
atm(m195,a17,h,h,2.524,-1.747,-2.417,0.044).
atm(m195,a18,h,h,1.618,-0.626,-3.445,0.053).
atm(m195,a19,h,h,5.368,0.199,-1.116,0.055).
atm(m195,a20,h,h,4.215,1.057,-2.150,0.059).
atm(m195,a21,h,h,5.359,1.970,-1.143,0.044).
atm(m195,a22,h,h,4.951,1.593,1.329,0.188).
bond(m195,a1,a2,1).
bond(m195,a1,a9,1).
bond(m195,a1,a10,1).
bond(m195,a1,a11,1).
bond(m195,a2,a3,1).
bond(m195,a2,a7,1).
bond(m195,a2,a8,1).
bond(m195,a3,a4,1).
bond(m195,a3,a12,1).
bond(m195,a3,a13,1).
bond(m195,a4,a5,1).
bond(m195,a4,a6,1).
bond(m195,a4,a14,1).
bond(m195,a5,a15,1).
bond(m195,a6,a16,1).
bond(m195,a6,a17,1).
bond(m195,a6,a18,1).
bond(m195,a7,a19,1).
bond(m195,a7,a20,1).
bond(m195,a7,a21,1).
bond(m195,a8,a22,1).
atm(m196,a1,c,c3,0.681,1.389,-0.416,-0.124).
atm(m196,a2,c,c3,2.003,2.149,-0.417,-0.032).
atm(m196,a3,c,c3,2.797,1.778,-1.668,-0.126).
atm(m196,a4,c,c3,1.683,3.651,-0.496,-0.119).
atm(m196,a5,c,c3,2.818,1.940,0.878,-0.095).
atm(m196,a6,c,c3,3.218,0.531,1.379,-0.036).
atm(m196,a7,c,c3,2.003,-0.281,1.846,-0.160).
atm(m196,a8,c,c3,3.984,-0.276,0.331,-0.125).
atm(m196,a9,n,n3,4.157,0.769,2.534,-0.054).
atm(m196,a10,h,h,0.841,0.298,-0.411,0.050).
atm(m196,a11,h,h,0.079,1.637,0.469,0.042).
atm(m196,a12,h,h,0.083,1.630,-1.304,0.043).
atm(m196,a13,h,h,3.795,2.237,-1.662,0.046).
atm(m196,a14,h,h,2.933,0.688,-1.754,0.051).
atm(m196,a15,h,h,2.283,2.113,-2.579,0.042).
atm(m196,a16,h,h,1.085,3.984,0.363,0.040).
atm(m196,a17,h,h,2.599,4.256,-0.517,0.043).
atm(m196,a18,h,h,1.112,3.890,-1.403,0.041).
atm(m196,a19,h,h,3.752,2.532,0.762,0.069).
atm(m196,a20,h,h,2.247,2.431,1.697,0.050).
atm(m196,a21,h,h,1.366,0.292,2.534,0.045).
atm(m196,a22,h,h,1.373,-0.580,0.993,0.062).
atm(m196,a23,h,h,2.304,-1.204,2.361,0.042).
atm(m196,a24,h,h,3.349,-0.488,-0.545,0.054).
atm(m196,a25,h,h,4.868,0.266,-0.030,0.055).
atm(m196,a26,h,h,4.323,-1.243,0.727,0.040).
atm(m196,a27,h,h,3.668,1.234,3.270,0.028).
atm(m196,a28,h,h,4.498,-0.107,2.871,0.030).
bond(m196,a1,a2,1).
bond(m196,a1,a10,1).
bond(m196,a1,a11,1).
bond(m196,a1,a12,1).
bond(m196,a2,a3,1).
bond(m196,a2,a4,1).
bond(m196,a2,a5,1).
bond(m196,a3,a13,1).
bond(m196,a3,a14,1).
bond(m196,a3,a15,1).
bond(m196,a4,a16,1).
bond(m196,a4,a17,1).
bond(m196,a4,a18,1).
bond(m196,a5,a6,1).
bond(m196,a5,a19,1).
bond(m196,a5,a20,1).
bond(m196,a6,a7,1).
bond(m196,a6,a8,1).
bond(m196,a6,a9,1).
bond(m196,a7,a21,1).
bond(m196,a7,a22,1).
bond(m196,a7,a23,1).
bond(m196,a8,a24,1).
bond(m196,a8,a25,1).
bond(m196,a8,a26,1).
bond(m196,a9,a27,1).
bond(m196,a9,a28,1).
atm(m197,a1,c,c3,0.541,1.494,-0.539,-0.129).
atm(m197,a2,c,c3,1.859,2.254,-0.538,-0.072).
atm(m197,a3,c,c3,2.662,1.893,-1.779,-0.129).
atm(m197,a4,c,c3,1.584,3.755,-0.526,-0.110).
atm(m197,a5,s,s3,2.827,2.001,1.037,-0.091).
atm(m197,a6,c,c3,3.303,0.212,1.267,-0.072).
atm(m197,a7,c,c3,2.092,-0.701,1.393,-0.129).
atm(m197,a8,c,c3,4.216,-0.294,0.160,-0.129).
atm(m197,a9,c,c3,4.067,0.234,2.588,-0.110).
atm(m197,a10,h,h,0.700,0.403,-0.549,0.053).
atm(m197,a11,h,h,-0.063,1.732,0.347,0.060).
atm(m197,a12,h,h,-0.057,1.747,-1.425,0.048).
atm(m197,a13,h,h,3.622,2.426,-1.808,0.060).
atm(m197,a14,h,h,2.879,0.813,-1.823,0.053).
atm(m197,a15,h,h,2.110,2.154,-2.693,0.048).
atm(m197,a16,h,h,1.003,4.053,0.357,0.059).
atm(m197,a17,h,h,2.515,4.337,-0.527,0.059).
atm(m197,a18,h,h,1.008,4.052,-1.414,0.046).
atm(m197,a19,h,h,1.412,-0.362,2.185,0.060).
atm(m197,a20,h,h,1.516,-0.743,0.454,0.053).
atm(m197,a21,h,h,2.399,-1.727,1.637,0.048).
atm(m197,a22,h,h,3.696,-0.326,-0.812,0.053).
atm(m197,a23,h,h,5.100,0.347,0.041,0.060).
atm(m197,a24,h,h,4.570,-1.311,0.377,0.048).
atm(m197,a25,h,h,4.950,0.885,2.534,0.059).
atm(m197,a26,h,h,3.436,0.593,3.413,0.059).
atm(m197,a27,h,h,4.415,-0.774,2.853,0.046).
bond(m197,a1,a2,1).
bond(m197,a1,a10,1).
bond(m197,a1,a11,1).
bond(m197,a1,a12,1).
bond(m197,a2,a3,1).
bond(m197,a2,a4,1).
bond(m197,a2,a5,1).
bond(m197,a3,a13,1).
bond(m197,a3,a14,1).
bond(m197,a3,a15,1).
bond(m197,a4,a16,1).
bond(m197,a4,a17,1).
bond(m197,a4,a18,1).
bond(m197,a5,a6,1).
bond(m197,a6,a7,1).
bond(m197,a6,a8,1).
bond(m197,a6,a9,1).
bond(m197,a7,a19,1).
bond(m197,a7,a20,1).
bond(m197,a7,a21,1).
bond(m197,a8,a22,1).
bond(m197,a8,a23,1).
bond(m197,a8,a24,1).
bond(m197,a9,a25,1).
bond(m197,a9,a26,1).
bond(m197,a9,a27,1).
atm(m198,a1,c,c3,0.000,2.098,0.000,-0.116).
atm(m198,a2,c,c3,-0.061,0.615,0.288,-0.085).
atm(m198,a3,c,c3,0.665,-0.215,-0.760,-0.154).
atm(m198,a4,c,c2,2.173,-0.085,-0.646,0.278).
atm(m198,a5,o,o2,2.797,-0.598,0.264,-0.314).
atm(m198,a6,c,c3,2.849,0.706,-1.733,-0.171).
atm(m198,a7,h,h,1.033,2.471,0.001,0.040).
atm(m198,a8,h,h,-0.432,2.341,-0.980,0.038).
atm(m198,a9,h,h,-0.555,2.671,0.754,0.043).
atm(m198,a10,h,h,0.356,0.403,1.293,0.065).
atm(m198,a11,h,h,-1.120,0.291,0.331,0.050).
atm(m198,a12,h,h,0.384,-1.281,-0.647,0.073).
atm(m198,a13,h,h,0.335,0.079,-1.776,0.063).
atm(m198,a14,h,h,3.933,0.798,-1.584,0.067).
atm(m198,a15,h,h,2.685,0.231,-2.709,0.062).
atm(m198,a16,h,h,2.429,1.719,-1.781,0.064).
bond(m198,a1,a2,1).
bond(m198,a1,a7,1).
bond(m198,a1,a8,1).
bond(m198,a1,a9,1).
bond(m198,a2,a3,1).
bond(m198,a2,a10,1).
bond(m198,a2,a11,1).
bond(m198,a3,a4,1).
bond(m198,a3,a12,1).
bond(m198,a3,a13,1).
bond(m198,a4,a5,2).
bond(m198,a4,a6,1).
bond(m198,a6,a14,1).
bond(m198,a6,a15,1).
bond(m198,a6,a16,1).
atm(m199,a1,c,c3,4.852,0.000,0.000,-0.180).
atm(m199,a2,c,c2,3.534,0.724,0.025,0.278).
atm(m199,a3,o,o2,3.462,1.932,0.149,-0.314).
atm(m199,a4,c,c3,2.293,-0.140,-0.108,-0.159).
atm(m199,a5,c,c3,1.883,-0.317,-1.572,-0.062).
atm(m199,a6,c,c3,0.415,-0.708,-1.659,-0.113).
atm(m199,a7,c,c3,2.740,-1.365,-2.264,-0.126).
atm(m199,a8,h,h,5.715,0.678,0.023,0.068).
atm(m199,a9,h,h,4.934,-0.676,0.861,0.063).
atm(m199,a10,h,h,4.923,-0.612,-0.915,0.071).
atm(m199,a11,h,h,2.470,-1.128,0.363,0.066).
atm(m199,a12,h,h,1.458,0.319,0.459,0.078).
atm(m199,a13,h,h,2.017,0.660,-2.098,0.072).
atm(m199,a14,h,h,-0.236,0.069,-1.237,0.044).
atm(m199,a15,h,h,0.109,-0.864,-2.701,0.043).
atm(m199,a16,h,h,0.212,-1.640,-1.113,0.040).
atm(m199,a17,h,h,3.814,-1.144,-2.151,0.045).
atm(m199,a18,h,h,2.569,-2.368,-1.848,0.042).
atm(m199,a19,h,h,2.521,-1.413,-3.338,0.046).
bond(m199,a1,a2,1).
bond(m199,a1,a8,1).
bond(m199,a1,a9,1).
bond(m199,a1,a10,1).
bond(m199,a2,a3,2).
bond(m199,a2,a4,1).
bond(m199,a4,a5,1).
bond(m199,a4,a11,1).
bond(m199,a4,a12,1).
bond(m199,a5,a6,1).
bond(m199,a5,a7,1).
bond(m199,a5,a13,1).
bond(m199,a6,a14,1).
bond(m199,a6,a15,1).
bond(m199,a6,a16,1).
bond(m199,a7,a17,1).
bond(m199,a7,a18,1).
bond(m199,a7,a19,1).
atm(m19,a1,c,car,2.795,2.423,0.000,-0.075).
atm(m19,a2,c,car,4.184,2.425,0.005,-0.110).
atm(m19,a3,c,car,4.883,1.221,0.027,-0.076).
atm(m19,a4,c,car,4.189,0.016,0.042,-0.112).
atm(m19,a5,c,car,2.798,0.008,0.035,-0.039).
atm(m19,a6,c,car,2.094,1.214,0.016,-0.134).
atm(m19,a7,c,c2,0.605,1.194,-0.001,0.266).
atm(m19,a8,o,o2,-0.071,0.243,-0.372,-0.369).
atm(m19,a9,n,nam,-0.085,2.320,0.521,-0.007).
atm(m19,a10,h,h,2.244,3.374,-0.011,0.102).
atm(m19,a11,h,h,4.729,3.375,-0.009,0.107).
atm(m19,a12,h,h,5.978,1.225,0.031,0.105).
atm(m19,a13,h,h,4.738,-0.931,0.059,0.109).
atm(m19,a14,h,h,2.251,-0.943,0.040,0.124).
atm(m19,a15,h,h,0.424,3.174,0.430,0.047).
atm(m19,a16,h,h,-1.040,2.400,0.254,0.062).
bond(m19,a1,a2,ar).
bond(m19,a1,a6,ar).
bond(m19,a1,a10,1).
bond(m19,a2,a3,ar).
bond(m19,a2,a11,1).
bond(m19,a3,a4,ar).
bond(m19,a3,a12,1).
bond(m19,a4,a5,ar).
bond(m19,a4,a13,1).
bond(m19,a5,a6,ar).
bond(m19,a5,a14,1).
bond(m19,a6,a7,1).
bond(m19,a7,a8,2).
bond(m19,a7,a9,1).
bond(m19,a9,a15,1).
bond(m19,a9,a16,1).
atm(m1,a1,c,car,6.311,2.430,0.000,-0.185).
atm(m1,a2,c,car,7.043,3.609,0.073,-0.022).
atm(m1,a3,c,car,8.435,3.580,0.012,-0.204).
atm(m1,a4,c,c2,9.242,4.821,0.088,0.331).
atm(m1,a5,o,o2,8.766,5.928,0.213,-0.320).
atm(m1,a6,c,car,9.101,2.358,-0.120,-0.109).
atm(m1,a7,c,car,8.379,1.168,-0.195,0.032).
atm(m1,a8,o,o3,8.974,-0.080,-0.257,-0.171).
atm(m1,a9,c,c3,10.253,-0.119,-0.845,0.044).
atm(m1,a10,c,car,6.963,1.201,-0.136,0.095).
atm(m1,a11,o,o3,6.314,-0.006,-0.278,-0.167).
atm(m1,a12,c,c3,4.963,-0.063,0.152,0.044).
atm(m1,a13,c,c3,4.846,-0.285,1.658,-0.140).
atm(m1,a14,c,c3,3.394,-0.495,2.052,-0.096).
atm(m1,a15,c,c3,3.256,-0.712,3.550,-0.103).
atm(m1,a16,c,c3,1.804,-0.923,3.948,-0.097).
atm(m1,a17,c,c3,1.665,-1.138,5.438,-0.109).
atm(m1,a18,h,h,5.212,2.454,0.043,0.124).
atm(m1,a19,h,h,6.522,4.569,0.177,0.121).
atm(m1,a20,h,h,10.336,4.698,0.023,0.043).
atm(m1,a21,h,h,10.202,2.321,-0.166,0.119).
atm(m1,a22,h,h,10.930,0.650,-0.444,0.028).
atm(m1,a23,h,h,10.609,-1.118,-0.584,0.053).
atm(m1,a24,h,h,10.190,-0.010,-1.933,0.028).
atm(m1,a25,h,h,4.395,0.839,-0.163,0.048).
atm(m1,a26,h,h,4.594,-0.929,-0.424,0.065).
atm(m1,a27,h,h,5.457,-1.156,1.968,0.069).
atm(m1,a28,h,h,5.270,0.584,2.202,0.061).
atm(m1,a29,h,h,2.785,0.378,1.738,0.049).
atm(m1,a30,h,h,2.975,-1.362,1.503,0.052).
atm(m1,a31,h,h,3.864,-1.584,3.864,0.054).
atm(m1,a32,h,h,3.676,0.155,4.099,0.053).
atm(m1,a33,h,h,1.196,-0.051,3.633,0.048).
atm(m1,a34,h,h,1.385,-1.790,3.399,0.049).
atm(m1,a35,h,h,2.037,-0.277,6.008,0.038).
atm(m1,a36,h,h,0.615,-1.290,5.722,0.038).
atm(m1,a37,h,h,2.227,-2.019,5.774,0.038).
bond(m1,a1,a2,ar).
bond(m1,a1,a10,ar).
bond(m1,a1,a18,1).
bond(m1,a2,a3,ar).
bond(m1,a2,a19,1).
bond(m1,a3,a4,1).
bond(m1,a3,a6,ar).
bond(m1,a4,a5,2).
bond(m1,a4,a20,1).
bond(m1,a6,a7,ar).
bond(m1,a6,a21,1).
bond(m1,a7,a8,1).
bond(m1,a7,a10,ar).
bond(m1,a8,a9,1).
bond(m1,a9,a22,1).
bond(m1,a9,a23,1).
bond(m1,a9,a24,1).
bond(m1,a10,a11,1).
bond(m1,a11,a12,1).
bond(m1,a12,a13,1).
bond(m1,a12,a25,1).
bond(m1,a12,a26,1).
bond(m1,a13,a14,1).
bond(m1,a13,a27,1).
bond(m1,a13,a28,1).
bond(m1,a14,a15,1).
bond(m1,a14,a29,1).
bond(m1,a14,a30,1).
bond(m1,a15,a16,1).
bond(m1,a15,a31,1).
bond(m1,a15,a32,1).
bond(m1,a16,a17,1).
bond(m1,a16,a33,1).
bond(m1,a16,a34,1).
bond(m1,a17,a35,1).
bond(m1,a17,a36,1).
bond(m1,a17,a37,1).
atm(m200,a1,c,c3,3.639,2.101,0.000,-0.152).
atm(m200,a2,c,c3,3.663,0.576,0.043,0.077).
atm(m200,a3,c,c3,4.603,0.086,1.142,-0.150).
atm(m200,a4,o,o3,2.367,0.000,0.122,-0.260).
atm(m200,a5,c,c3,1.551,0.417,1.224,0.058).
atm(m200,a6,c,c3,1.468,-0.705,2.254,-0.139).
atm(m200,a7,c,c3,0.169,0.738,0.664,-0.126).
atm(m200,a8,h,h,4.655,2.509,-0.054,0.050).
atm(m200,a9,h,h,3.080,2.474,-0.867,0.051).
atm(m200,a10,h,h,3.155,2.508,0.904,0.049).
atm(m200,a11,h,h,3.980,0.161,-0.942,0.068).
atm(m200,a12,h,h,5.637,0.376,0.921,0.046).
atm(m200,a13,h,h,4.344,0.508,2.123,0.044).
atm(m200,a14,h,h,4.577,-1.008,1.239,0.053).
atm(m200,a15,h,h,1.982,1.341,1.697,0.056).
atm(m200,a16,h,h,2.457,-0.946,2.667,0.045).
atm(m200,a17,h,h,0.817,-0.417,3.089,0.042).
atm(m200,a18,h,h,1.062,-1.628,1.819,0.051).
atm(m200,a19,h,h,-0.278,-0.127,0.156,0.050).
atm(m200,a20,h,h,-0.514,1.038,1.469,0.041).
atm(m200,a21,h,h,0.210,1.560,-0.064,0.044).
bond(m200,a1,a2,1).
bond(m200,a1,a8,1).
bond(m200,a1,a9,1).
bond(m200,a1,a10,1).
bond(m200,a2,a3,1).
bond(m200,a2,a4,1).
bond(m200,a2,a11,1).
bond(m200,a3,a12,1).
bond(m200,a3,a13,1).
bond(m200,a3,a14,1).
bond(m200,a4,a5,1).
bond(m200,a5,a6,1).
bond(m200,a5,a7,1).
bond(m200,a5,a15,1).
bond(m200,a6,a16,1).
bond(m200,a6,a17,1).
bond(m200,a6,a18,1).
bond(m200,a7,a19,1).
bond(m200,a7,a20,1).
bond(m200,a7,a21,1).
atm(m201,a1,c,c3,0.000,1.215,0.000,-0.065).
atm(m201,a2,c,car,1.485,1.214,0.010,-0.074).
atm(m201,a3,c,car,2.191,2.418,-0.003,-0.104).
atm(m201,a4,c,car,3.581,2.413,0.021,-0.098).
atm(m201,a5,c,car,4.275,1.209,0.057,-0.109).
atm(m201,a6,c,car,3.576,0.006,0.067,-0.098).
atm(m201,a7,c,car,2.187,0.007,0.043,-0.104).
atm(m201,a8,h,h,-0.389,1.199,1.027,0.047).
atm(m201,a9,h,h,-0.405,0.336,-0.520,0.045).
atm(m201,a10,h,h,-0.405,2.108,-0.493,0.044).
atm(m201,a11,h,h,1.647,3.368,-0.032,0.105).
atm(m201,a12,h,h,4.130,3.361,0.012,0.102).
atm(m201,a13,h,h,5.370,1.207,0.075,0.102).
atm(m201,a14,h,h,4.121,-0.943,0.094,0.102).
atm(m201,a15,h,h,1.638,-0.942,0.050,0.105).
bond(m201,a1,a2,1).
bond(m201,a1,a8,1).
bond(m201,a1,a9,1).
bond(m201,a1,a10,1).
bond(m201,a2,a3,ar).
bond(m201,a2,a7,ar).
bond(m201,a3,a4,ar).
bond(m201,a3,a11,1).
bond(m201,a4,a5,ar).
bond(m201,a4,a12,1).
bond(m201,a5,a6,ar).
bond(m201,a5,a13,1).
bond(m201,a6,a7,ar).
bond(m201,a6,a14,1).
bond(m201,a7,a15,1).
atm(m202,a1,n,nar,4.204,1.215,0.000,-0.086).
atm(m202,a2,c,car,3.523,0.046,0.000,-0.057).
atm(m202,a3,c,car,2.129,0.012,0.000,-0.155).
atm(m202,a4,c,car,1.417,1.213,0.002,-0.037).
atm(m202,a5,c,c3,-0.067,1.212,0.017,-0.071).
atm(m202,a6,c,car,2.127,2.416,0.000,-0.155).
atm(m202,a7,c,car,3.521,2.383,-0.001,-0.057).
atm(m202,a8,h,h,4.135,-0.862,-0.001,0.117).
atm(m202,a9,h,h,1.600,-0.947,-0.002,0.116).
atm(m202,a10,h,h,-0.437,1.217,1.052,0.053).
atm(m202,a11,h,h,-0.480,0.324,-0.478,0.049).
atm(m202,a12,h,h,-0.480,2.097,-0.486,0.049).
atm(m202,a13,h,h,1.597,3.374,-0.003,0.116).
atm(m202,a14,h,h,4.133,3.292,-0.002,0.117).
bond(m202,a1,a2,ar).
bond(m202,a1,a7,ar).
bond(m202,a2,a3,ar).
bond(m202,a2,a8,1).
bond(m202,a3,a4,ar).
bond(m202,a3,a9,1).
bond(m202,a4,a5,1).
bond(m202,a4,a6,ar).
bond(m202,a5,a10,1).
bond(m202,a5,a11,1).
bond(m202,a5,a12,1).
bond(m202,a6,a7,ar).
bond(m202,a6,a13,1).
bond(m202,a7,a14,1).
atm(m203,a1,cl,cl,0.000,1.215,0.000,0.063).
atm(m203,a2,c,car,1.686,1.215,0.000,-0.124).
atm(m203,a3,c,car,2.372,2.428,0.001,-0.104).
atm(m203,a4,c,car,3.762,2.423,0.001,-0.089).
atm(m203,a5,c,car,4.457,1.217,-0.001,-0.103).
atm(m203,a6,c,car,3.763,0.010,-0.002,-0.089).
atm(m203,a7,c,car,2.373,0.004,-0.002,-0.104).
atm(m203,a8,h,h,1.815,3.371,0.002,0.117).
atm(m203,a9,h,h,4.310,3.371,0.001,0.105).
atm(m203,a10,h,h,5.551,1.217,-0.002,0.105).
atm(m203,a11,h,h,4.312,-0.938,-0.004,0.105).
atm(m203,a12,h,h,1.817,-0.940,-0.003,0.117).
bond(m203,a1,a2,1).
bond(m203,a2,a3,ar).
bond(m203,a2,a7,ar).
bond(m203,a3,a4,ar).
bond(m203,a3,a8,1).
bond(m203,a4,a5,ar).
bond(m203,a4,a9,1).
bond(m203,a5,a6,ar).
bond(m203,a5,a10,1).
bond(m203,a6,a7,ar).
bond(m203,a6,a11,1).
bond(m203,a7,a12,1).
atm(m204,a1,c,c3,2.102,2.426,0.000,-0.131).
atm(m204,a2,c,c3,3.624,2.415,0.032,-0.091).
atm(m204,a3,c,c3,4.162,1.079,0.515,-0.098).
atm(m204,a4,c,c3,3.782,-0.054,-0.432,-0.088).
atm(m204,a5,c,c3,2.500,0.232,-1.201,-0.133).
atm(m204,a6,c,c3,1.517,1.042,-0.345,0.078).
atm(m204,a7,o,o3,0.248,1.141,-0.949,-0.308).
atm(m204,a8,h,h,1.756,3.193,-0.723,0.053).
atm(m204,a9,h,h,1.703,2.751,0.981,0.057).
atm(m204,a10,h,h,3.991,3.232,0.683,0.050).
atm(m204,a11,h,h,4.030,2.634,-0.976,0.049).
atm(m204,a12,h,h,3.772,0.873,1.531,0.051).
atm(m204,a13,h,h,5.262,1.129,0.624,0.050).
atm(m204,a14,h,h,3.677,-0.993,0.146,0.049).
atm(m204,a15,h,h,4.602,-0.243,-1.152,0.047).
atm(m204,a16,h,h,2.033,-0.717,-1.528,0.062).
atm(m204,a17,h,h,2.728,0.787,-2.134,0.049).
atm(m204,a18,h,h,1.274,0.480,0.586,0.072).
atm(m204,a19,h,h,0.363,1.581,-1.783,0.182).
bond(m204,a1,a2,1).
bond(m204,a1,a6,1).
bond(m204,a1,a8,1).
bond(m204,a1,a9,1).
bond(m204,a2,a3,1).
bond(m204,a2,a10,1).
bond(m204,a2,a11,1).
bond(m204,a3,a4,1).
bond(m204,a3,a12,1).
bond(m204,a3,a13,1).
bond(m204,a4,a5,1).
bond(m204,a4,a14,1).
bond(m204,a4,a15,1).
bond(m204,a5,a6,1).
bond(m204,a5,a16,1).
bond(m204,a5,a17,1).
bond(m204,a6,a7,1).
bond(m204,a6,a18,1).
bond(m204,a7,a19,1).
atm(m205,a1,c,c3,2.102,0.000,0.000,-0.152).
atm(m205,a2,c,c2,1.500,1.382,-0.147,0.279).
atm(m205,a3,o,o2,0.423,1.567,-0.680,-0.314).
atm(m205,a4,c,c3,2.320,2.515,0.434,-0.152).
atm(m205,a5,c,c3,3.760,2.444,-0.046,-0.088).
atm(m205,a6,c,c3,4.363,1.072,0.212,-0.103).
atm(m205,a7,c,c3,3.547,-0.015,-0.470,-0.088).
atm(m205,a8,h,h,1.513,-0.757,-0.553,0.076).
atm(m205,a9,h,h,2.040,-0.287,1.069,0.069).
atm(m205,a10,h,h,2.276,2.437,1.539,0.069).
atm(m205,a11,h,h,1.881,3.500,0.181,0.076).
atm(m205,a12,h,h,4.361,3.224,0.459,0.053).
atm(m205,a13,h,h,3.809,2.680,-1.128,0.056).
atm(m205,a14,h,h,4.415,0.879,1.302,0.053).
atm(m205,a15,h,h,5.408,1.044,-0.150,0.055).
atm(m205,a16,h,h,3.587,0.118,-1.570,0.056).
atm(m205,a17,h,h,3.994,-1.008,-0.271,0.053).
bond(m205,a1,a2,1).
bond(m205,a1,a7,1).
bond(m205,a1,a8,1).
bond(m205,a1,a9,1).
bond(m205,a2,a3,2).
bond(m205,a2,a4,1).
bond(m205,a4,a5,1).
bond(m205,a4,a10,1).
bond(m205,a4,a11,1).
bond(m205,a5,a6,1).
bond(m205,a5,a12,1).
bond(m205,a5,a13,1).
bond(m205,a6,a7,1).
bond(m205,a6,a14,1).
bond(m205,a6,a15,1).
bond(m205,a7,a16,1).
bond(m205,a7,a17,1).
atm(m206,a1,o,o3,0.000,1.215,0.000,-0.228).
atm(m206,a2,c,car,1.319,1.189,-0.362,0.099).
atm(m206,a3,c,car,2.227,2.197,-0.013,-0.196).
atm(m206,a4,c,car,3.550,2.087,-0.424,-0.059).
atm(m206,a5,c,car,3.966,0.991,-1.172,-0.144).
atm(m206,a6,c,car,3.057,-0.007,-1.515,-0.063).
atm(m206,a7,c,car,1.730,0.080,-1.116,-0.144).
atm(m206,a8,h,h,-0.148,2.007,0.501,0.196).
atm(m206,a9,h,h,1.907,3.064,0.577,0.110).
atm(m206,a10,h,h,4.267,2.870,-0.156,0.101).
atm(m206,a11,h,h,5.010,0.912,-1.492,0.106).
atm(m206,a12,h,h,3.390,-0.868,-2.104,0.101).
atm(m206,a13,h,h,1.013,-0.704,-1.385,0.121).
bond(m206,a1,a2,1).
bond(m206,a1,a8,1).
bond(m206,a2,a3,ar).
bond(m206,a2,a7,ar).
bond(m206,a3,a4,ar).
bond(m206,a3,a9,1).
bond(m206,a4,a5,ar).
bond(m206,a4,a10,1).
bond(m206,a5,a6,ar).
bond(m206,a5,a11,1).
bond(m206,a6,a7,ar).
bond(m206,a6,a12,1).
bond(m206,a7,a13,1).
atm(m207,a1,n,nar,3.502,0.000,0.000,-0.075).
atm(m207,a2,c,car,2.151,-0.001,-0.002,-0.064).
atm(m207,a3,c,car,1.415,1.191,0.008,-0.121).
atm(m207,a4,c,c3,-0.068,1.162,0.022,-0.059).
atm(m207,a5,c,car,2.108,2.403,0.014,-0.070).
atm(m207,a6,c,car,3.498,2.396,0.015,-0.145).
atm(m207,a7,c,car,4.173,1.175,0.009,-0.070).
atm(m207,a8,h,h,1.672,-0.988,-0.012,0.120).
atm(m207,a9,h,h,-0.443,1.242,1.051,0.050).
atm(m207,a10,h,h,-0.462,0.230,-0.403,0.048).
atm(m207,a11,h,h,-0.493,1.996,-0.552,0.047).
atm(m207,a12,h,h,1.557,3.351,0.018,0.109).
atm(m207,a13,h,h,4.060,3.336,0.021,0.113).
atm(m207,a14,h,h,5.266,1.101,0.010,0.118).
bond(m207,a1,a2,ar).
bond(m207,a1,a7,ar).
bond(m207,a2,a3,ar).
bond(m207,a2,a8,1).
bond(m207,a3,a4,1).
bond(m207,a3,a5,ar).
bond(m207,a4,a9,1).
bond(m207,a4,a10,1).
bond(m207,a4,a11,1).
bond(m207,a5,a6,ar).
bond(m207,a5,a12,1).
bond(m207,a6,a7,ar).
bond(m207,a6,a13,1).
bond(m207,a7,a14,1).
atm(m208,a1,c,c3,0.000,1.215,0.000,-0.083).
atm(m208,a2,n,n3,1.476,1.160,-0.027,-0.080).
atm(m208,a3,c,c3,2.092,2.516,0.064,-0.105).
atm(m208,a4,c,c3,3.529,2.536,-0.466,-0.094).
atm(m208,a5,n,n3,4.226,1.239,-0.341,-0.053).
atm(m208,a6,c,c3,3.510,0.146,-1.045,-0.086).
atm(m208,a7,c,c3,1.998,0.359,-1.169,-0.094).
atm(m208,a8,h,h,-0.320,1.781,0.884,0.047).
atm(m208,a9,h,h,-0.397,0.195,0.082,0.048).
atm(m208,a10,h,h,-0.440,1.688,-0.892,0.024).
atm(m208,a11,h,h,2.059,2.787,1.138,0.058).
atm(m208,a12,h,h,1.488,3.283,-0.467,0.042).
atm(m208,a13,h,h,4.125,3.303,0.065,0.061).
atm(m208,a14,h,h,3.549,2.814,-1.539,0.058).
atm(m208,a15,h,h,4.330,1.009,0.625,0.052).
atm(m208,a16,h,h,3.736,-0.811,-0.534,0.054).
atm(m208,a17,h,h,3.959,0.070,-2.056,0.056).
atm(m208,a18,h,h,1.749,0.838,-2.141,0.038).
atm(m208,a19,h,h,1.476,-0.618,-1.166,0.059).
bond(m208,a1,a2,1).
bond(m208,a1,a8,1).
bond(m208,a1,a9,1).
bond(m208,a1,a10,1).
bond(m208,a2,a3,1).
bond(m208,a2,a7,1).
bond(m208,a3,a4,1).
bond(m208,a3,a11,1).
bond(m208,a3,a12,1).
bond(m208,a4,a5,1).
bond(m208,a4,a13,1).
bond(m208,a4,a14,1).
bond(m208,a5,a6,1).
bond(m208,a5,a15,1).
bond(m208,a6,a7,1).
bond(m208,a6,a16,1).
bond(m208,a6,a17,1).
bond(m208,a7,a18,1).
bond(m208,a7,a19,1).
atm(m209,a1,n,nar,2.102,0.000,0.000,-0.078).
atm(m209,a2,c,car,1.421,1.179,0.001,-0.034).
atm(m209,a3,c,c3,-0.068,1.128,0.008,-0.067).
atm(m209,a4,c,car,2.103,2.402,0.006,-0.154).
atm(m209,a5,c,car,3.494,2.407,0.013,-0.061).
atm(m209,a6,c,car,4.181,1.198,0.014,-0.160).
atm(m209,a7,c,car,3.452,0.007,0.007,-0.057).
atm(m209,a8,h,h,-0.443,1.116,1.041,0.053).
atm(m209,a9,h,h,-0.461,0.234,-0.495,0.061).
atm(m209,a10,h,h,-0.497,2.007,-0.491,0.044).
atm(m209,a11,h,h,1.543,3.343,0.003,0.116).
atm(m209,a12,h,h,4.042,3.355,0.017,0.106).
atm(m209,a13,h,h,5.275,1.175,0.020,0.114).
atm(m209,a14,h,h,3.930,-0.979,0.006,0.117).
bond(m209,a1,a2,ar).
bond(m209,a1,a7,ar).
bond(m209,a2,a3,1).
bond(m209,a2,a4,ar).
bond(m209,a3,a8,1).
bond(m209,a3,a9,1).
bond(m209,a3,a10,1).
bond(m209,a4,a5,ar).
bond(m209,a4,a11,1).
bond(m209,a5,a6,ar).
bond(m209,a5,a12,1).
bond(m209,a6,a7,ar).
bond(m209,a6,a13,1).
bond(m209,a7,a14,1).
atm(m20,a1,c,c3,2.439,3.659,1.241,-0.150).
atm(m20,a2,c,c3,2.998,2.255,1.283,-0.203).
atm(m20,a3,n,n4,3.775,1.758,0.052,0.536).
atm(m20,a4,c,c3,3.053,2.011,-1.278,-0.188).
atm(m20,a5,c,c3,3.077,3.411,-1.846,-0.151).
atm(m20,a6,c,c3,5.229,2.272,0.044,-0.182).
atm(m20,a7,c,c3,5.449,3.758,0.222,-0.154).
atm(m20,a8,c,c3,3.906,0.203,0.211,-0.123).
atm(m20,a9,c,car,2.675,-0.561,-0.148,-0.181).
atm(m20,a10,c,car,1.612,-0.672,0.753,-0.085).
atm(m20,a11,c,car,0.511,-1.459,0.443,-0.081).
atm(m20,a12,c,car,0.465,-2.148,-0.766,-0.046).
atm(m20,a13,c,car,1.523,-2.046,-1.665,-0.084).
atm(m20,a14,c,car,2.626,-1.258,-1.359,-0.070).
atm(m20,a15,h,h,3.230,4.427,1.267,0.075).
atm(m20,a16,h,h,1.815,3.852,0.353,0.076).
atm(m20,a17,h,h,1.805,3.822,2.125,0.089).
atm(m20,a18,h,h,3.673,2.154,2.163,0.101).
atm(m20,a19,h,h,2.155,1.538,1.461,0.118).
atm(m20,a20,h,h,3.494,1.311,-2.026,0.103).
atm(m20,a21,h,h,1.996,1.683,-1.141,0.113).
atm(m20,a22,h,h,4.095,3.816,-1.964,0.074).
atm(m20,a23,h,h,2.501,4.126,-1.234,0.075).
atm(m20,a24,h,h,2.616,3.401,-2.844,0.089).
atm(m20,a25,h,h,5.779,1.739,0.853,0.100).
atm(m20,a26,h,h,5.692,1.947,-0.915,0.102).
atm(m20,a27,h,h,5.102,4.344,-0.646,0.077).
atm(m20,a28,h,h,4.953,4.167,1.118,0.076).
atm(m20,a29,h,h,6.526,3.953,0.331,0.090).
atm(m20,a30,h,h,4.753,-0.147,-0.423,0.105).
atm(m20,a31,h,h,4.195,-0.022,1.263,0.107).
atm(m20,a32,h,h,1.649,-0.134,1.713,0.108).
atm(m20,a33,h,h,-0.318,-1.545,1.156,0.125).
atm(m20,a34,h,h,-0.402,-2.776,-1.008,0.125).
atm(m20,a35,h,h,1.491,-2.595,-2.614,0.126).
atm(m20,a36,h,h,3.463,-1.201,-2.067,0.111).
bond(m20,a1,a2,1).
bond(m20,a1,a15,1).
bond(m20,a1,a16,1).
bond(m20,a1,a17,1).
bond(m20,a2,a3,1).
bond(m20,a2,a18,1).
bond(m20,a2,a19,1).
bond(m20,a3,a4,1).
bond(m20,a3,a6,1).
bond(m20,a3,a8,1).
bond(m20,a4,a5,1).
bond(m20,a4,a20,1).
bond(m20,a4,a21,1).
bond(m20,a5,a22,1).
bond(m20,a5,a23,1).
bond(m20,a5,a24,1).
bond(m20,a6,a7,1).
bond(m20,a6,a25,1).
bond(m20,a6,a26,1).
bond(m20,a7,a27,1).
bond(m20,a7,a28,1).
bond(m20,a7,a29,1).
bond(m20,a8,a9,1).
bond(m20,a8,a30,1).
bond(m20,a8,a31,1).
bond(m20,a9,a10,ar).
bond(m20,a9,a14,ar).
bond(m20,a10,a11,ar).
bond(m20,a10,a32,1).
bond(m20,a11,a12,ar).
bond(m20,a11,a33,1).
bond(m20,a12,a13,ar).
bond(m20,a12,a34,1).
bond(m20,a13,a14,ar).
bond(m20,a13,a35,1).
bond(m20,a14,a36,1).
atm(m210,a1,n,n3,3.502,0.000,0.000,-0.065).
atm(m210,a2,c,c3,2.019,0.021,-0.015,-0.107).
atm(m210,a3,c,c3,1.492,1.470,-0.019,-0.063).
atm(m210,a4,c,c3,0.096,1.511,-0.630,-0.111).
atm(m210,a5,n,n3,2.385,2.416,-0.758,-0.052).
atm(m210,a6,c,c3,3.228,1.744,-1.769,-0.095).
atm(m210,a7,c,c3,4.120,0.643,-1.190,-0.117).
atm(m210,a8,h,h,3.823,-0.941,0.077,0.051).
atm(m210,a9,h,h,1.668,-0.505,0.894,0.058).
atm(m210,a10,h,h,1.605,-0.544,-0.880,0.040).
atm(m210,a11,h,h,1.428,1.839,1.034,0.064).
atm(m210,a12,h,h,-0.580,0.829,-0.097,0.036).
atm(m210,a13,h,h,0.097,1.214,-1.688,0.042).
atm(m210,a14,h,h,-0.339,2.517,-0.575,0.049).
atm(m210,a15,h,h,2.965,2.897,-0.105,0.053).
atm(m210,a16,h,h,3.842,2.514,-2.275,0.062).
atm(m210,a17,h,h,2.544,1.334,-2.540,0.059).
atm(m210,a18,h,h,4.370,-0.089,-1.985,0.038).
atm(m210,a19,h,h,5.086,1.056,-0.837,0.058).
bond(m210,a1,a2,1).
bond(m210,a1,a7,1).
bond(m210,a1,a8,1).
bond(m210,a2,a3,1).
bond(m210,a2,a9,1).
bond(m210,a2,a10,1).
bond(m210,a3,a4,1).
bond(m210,a3,a5,1).
bond(m210,a3,a11,1).
bond(m210,a4,a12,1).
bond(m210,a4,a13,1).
bond(m210,a4,a14,1).
bond(m210,a5,a6,1).
bond(m210,a5,a15,1).
bond(m210,a6,a7,1).
bond(m210,a6,a16,1).
bond(m210,a6,a17,1).
bond(m210,a7,a18,1).
bond(m210,a7,a19,1).
atm(m211,a1,c,c3,6.068,0.000,0.000,-0.117).
atm(m211,a2,c,c2,4.765,0.747,0.000,0.375).
atm(m211,a3,o,o2,4.598,1.951,0.001,-0.382).
atm(m211,a4,o,o3,3.681,-0.083,-0.001,-0.274).
atm(m211,a5,c,c3,2.377,0.501,-0.001,0.076).
atm(m211,a6,c,c3,1.386,-0.660,-0.002,-0.112).
atm(m211,a7,c,c3,-0.044,-0.152,-0.002,-0.107).
atm(m211,a8,h,h,6.920,0.692,0.002,0.070).
atm(m211,a9,h,h,6.152,-0.644,0.886,0.068).
atm(m211,a10,h,h,6.154,-0.640,-0.888,0.068).
atm(m211,a11,h,h,2.253,1.140,0.893,0.049).
atm(m211,a12,h,h,2.254,1.141,-0.895,0.049).
atm(m211,a13,h,h,1.563,-1.310,-0.882,0.058).
atm(m211,a14,h,h,1.563,-1.311,0.878,0.058).
atm(m211,a15,h,h,-0.102,0.946,-0.003,0.043).
atm(m211,a16,h,h,-0.597,-0.500,-0.884,0.039).
atm(m211,a17,h,h,-0.597,-0.499,0.880,0.039).
bond(m211,a1,a2,1).
bond(m211,a1,a8,1).
bond(m211,a1,a9,1).
bond(m211,a1,a10,1).
bond(m211,a2,a3,2).
bond(m211,a2,a4,1).
bond(m211,a4,a5,1).
bond(m211,a5,a6,1).
bond(m211,a5,a11,1).
bond(m211,a5,a12,1).
bond(m211,a6,a7,1).
bond(m211,a6,a13,1).
bond(m211,a6,a14,1).
bond(m211,a7,a15,1).
bond(m211,a7,a16,1).
bond(m211,a7,a17,1).
atm(m212,a1,br,br,0.000,0.000,0.000,-0.115).
atm(m212,a2,c,c3,1.683,0.988,-0.001,-0.043).
atm(m212,a3,c,c3,2.735,-0.081,0.000,-0.151).
atm(m212,a4,c,c3,4.116,0.505,-0.002,-0.043).
atm(m212,a5,br,br,5.295,-1.050,0.004,-0.115).
atm(m212,a6,h,h,1.700,1.627,-0.897,0.072).
atm(m212,a7,h,h,1.699,1.630,0.893,0.072).
atm(m212,a8,h,h,2.605,-0.739,0.884,0.091).
atm(m212,a9,h,h,2.604,-0.743,-0.880,0.091).
atm(m212,a10,h,h,4.345,1.101,-0.899,0.072).
atm(m212,a11,h,h,4.345,1.107,0.891,0.072).
bond(m212,a1,a2,1).
bond(m212,a2,a3,1).
bond(m212,a2,a6,1).
bond(m212,a2,a7,1).
bond(m212,a3,a4,1).
bond(m212,a3,a8,1).
bond(m212,a3,a9,1).
bond(m212,a4,a5,1).
bond(m212,a4,a10,1).
bond(m212,a4,a11,1).
atm(m213,a1,br,br,0.000,0.000,0.000,-0.139).
atm(m213,a2,c,c3,1.696,0.975,0.004,-0.031).
atm(m213,a3,c,c3,2.739,-0.102,-0.006,-0.131).
atm(m213,a4,c,c3,4.141,0.487,-0.003,-0.092).
atm(m213,a5,c,c3,5.192,-0.600,-0.013,-0.109).
atm(m213,a6,h,h,1.711,1.621,-0.887,0.069).
atm(m213,a7,h,h,1.715,1.608,0.903,0.069).
atm(m213,a8,h,h,2.597,-0.764,0.872,0.072).
atm(m213,a9,h,h,2.595,-0.751,-0.893,0.072).
atm(m213,a10,h,h,4.273,1.150,-0.881,0.049).
atm(m213,a11,h,h,4.275,1.136,0.885,0.049).
atm(m213,a12,h,h,6.204,-0.174,-0.012,0.040).
atm(m213,a13,h,h,5.109,-1.252,0.866,0.041).
atm(m213,a14,h,h,5.106,-1.238,-0.903,0.041).
bond(m213,a1,a2,1).
bond(m213,a2,a3,1).
bond(m213,a2,a6,1).
bond(m213,a2,a7,1).
bond(m213,a3,a4,1).
bond(m213,a3,a8,1).
bond(m213,a3,a9,1).
bond(m213,a4,a5,1).
bond(m213,a4,a10,1).
bond(m213,a4,a11,1).
bond(m213,a5,a12,1).
bond(m213,a5,a13,1).
bond(m213,a5,a14,1).
atm(m214,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m214,a2,c,c3,1.307,0.760,0.000,-0.097).
atm(m214,a3,c,c3,2.328,0.108,0.919,-0.105).
atm(m214,a4,c,c3,3.639,0.886,0.913,-0.103).
atm(m214,a5,n,n3,4.656,0.213,1.752,-0.036).
atm(m214,a6,h,h,0.134,-1.036,-0.339,0.039).
atm(m214,a7,h,h,-0.445,-0.041,1.003,0.037).
atm(m214,a8,h,h,-0.734,0.471,-0.666,0.037).
atm(m214,a9,h,h,1.711,0.818,-1.030,0.050).
atm(m214,a10,h,h,1.134,1.810,0.310,0.046).
atm(m214,a11,h,h,1.919,0.047,1.949,0.049).
atm(m214,a12,h,h,2.500,-0.941,0.606,0.064).
atm(m214,a13,h,h,4.048,0.938,-0.117,0.055).
atm(m214,a14,h,h,3.453,1.938,1.222,0.026).
atm(m214,a15,h,h,5.484,0.770,1.773,0.023).
atm(m214,a16,h,h,4.310,0.108,2.683,0.022).
bond(m214,a1,a2,1).
bond(m214,a1,a6,1).
bond(m214,a1,a7,1).
bond(m214,a1,a8,1).
bond(m214,a2,a3,1).
bond(m214,a2,a9,1).
bond(m214,a2,a10,1).
bond(m214,a3,a4,1).
bond(m214,a3,a11,1).
bond(m214,a3,a12,1).
bond(m214,a4,a5,1).
bond(m214,a4,a13,1).
bond(m214,a4,a14,1).
bond(m214,a5,a15,1).
bond(m214,a5,a16,1).
atm(m215,a1,c,c2,4.895,1.209,0.000,-0.147).
atm(m215,a2,c,c2,3.567,1.215,0.000,-0.153).
atm(m215,a3,c,c3,2.777,-0.052,0.000,0.088).
atm(m215,a4,c,c1,1.350,0.200,0.000,-0.156).
atm(m215,a5,n,n1,0.208,0.397,0.000,-0.066).
atm(m215,a6,h,h,5.483,2.122,0.000,0.086).
atm(m215,a7,h,h,5.488,0.298,0.000,0.082).
atm(m215,a8,h,h,3.005,2.156,0.000,0.114).
atm(m215,a9,h,h,3.025,-0.667,-0.889,0.076).
atm(m215,a10,h,h,3.025,-0.667,0.890,0.076).
bond(m215,a1,a2,2).
bond(m215,a1,a6,1).
bond(m215,a1,a7,1).
bond(m215,a2,a3,1).
bond(m215,a2,a8,1).
bond(m215,a3,a4,1).
bond(m215,a3,a9,1).
bond(m215,a3,a10,1).
bond(m215,a4,a5,3).
atm(m216,a1,n,n3,0.000,0.000,0.000,-0.034).
atm(m216,a2,c,c3,1.249,0.782,-0.003,-0.111).
atm(m216,a3,c,c3,2.376,0.180,0.833,-0.133).
atm(m216,a4,c,c3,3.622,1.053,0.753,-0.098).
atm(m216,a5,n,n3,4.738,0.445,1.511,-0.035).
atm(m216,a6,h,h,0.170,-0.911,-0.372,0.024).
atm(m216,a7,h,h,-0.339,-0.093,0.935,0.023).
atm(m216,a8,h,h,1.570,0.894,-1.058,0.061).
atm(m216,a9,h,h,1.004,1.802,0.356,0.058).
atm(m216,a10,h,h,2.051,0.070,1.889,0.049).
atm(m216,a11,h,h,2.607,-0.848,0.485,0.064).
atm(m216,a12,h,h,3.953,1.149,-0.301,0.057).
atm(m216,a13,h,h,3.380,2.084,1.093,0.028).
atm(m216,a14,h,h,5.537,1.040,1.453,0.025).
atm(m216,a15,h,h,4.478,0.341,2.470,0.022).
bond(m216,a1,a2,1).
bond(m216,a1,a6,1).
bond(m216,a1,a7,1).
bond(m216,a2,a3,1).
bond(m216,a2,a8,1).
bond(m216,a2,a9,1).
bond(m216,a3,a4,1).
bond(m216,a3,a10,1).
bond(m216,a3,a11,1).
bond(m216,a4,a5,1).
bond(m216,a4,a12,1).
bond(m216,a4,a13,1).
bond(m216,a5,a14,1).
bond(m216,a5,a15,1).
atm(m217,a1,n,n1,0.000,1.400,0.000,-0.018).
atm(m217,a2,c,c1,0.996,0.808,0.000,-0.181).
atm(m217,a3,c,c3,2.235,0.054,-0.001,0.223).
atm(m217,a4,c,c1,3.386,0.937,0.000,-0.181).
atm(m217,a5,n,n1,4.312,1.632,0.001,-0.018).
atm(m217,a6,h,h,2.270,-0.603,0.894,0.087).
atm(m217,a7,h,h,2.270,-0.602,-0.895,0.087).
bond(m217,a1,a2,3).
bond(m217,a2,a3,1).
bond(m217,a3,a4,1).
bond(m217,a3,a6,1).
bond(m217,a3,a7,1).
bond(m217,a4,a5,3).
atm(m218,a1,c,c3,0.000,0.000,0.000,0.061).
atm(m218,a2,o,o3,1.095,0.874,0.066,-0.268).
atm(m218,a3,c,c3,1.955,0.624,1.173,0.056).
atm(m218,a4,c,c3,3.118,1.614,1.051,-0.115).
atm(m218,a5,n,n3,4.048,1.431,2.187,-0.032).
atm(m218,a6,h,h,0.312,-1.044,-0.123,0.018).
atm(m218,a7,h,h,-0.647,0.082,0.882,0.016).
atm(m218,a8,h,h,-0.536,0.338,-0.890,0.044).
atm(m218,a9,h,h,1.393,0.766,2.118,0.027).
atm(m218,a10,h,h,2.309,-0.425,1.153,0.042).
atm(m218,a11,h,h,3.685,1.427,0.118,0.064).
atm(m218,a12,h,h,2.730,2.653,0.972,0.039).
atm(m218,a13,h,h,4.826,2.045,2.075,0.026).
atm(m218,a14,h,h,3.581,1.649,3.043,0.021).
bond(m218,a1,a2,1).
bond(m218,a1,a6,1).
bond(m218,a1,a7,1).
bond(m218,a1,a8,1).
bond(m218,a2,a3,1).
bond(m218,a3,a4,1).
bond(m218,a3,a9,1).
bond(m218,a3,a10,1).
bond(m218,a4,a5,1).
bond(m218,a4,a11,1).
bond(m218,a4,a12,1).
bond(m218,a5,a13,1).
bond(m218,a5,a14,1).
atm(m219,a1,c,c3,0.000,0.000,0.000,-0.112).
atm(m219,a2,c,c3,1.303,0.773,-0.006,-0.084).
atm(m219,a3,n,n3,2.320,0.108,0.848,-0.072).
atm(m219,a4,c,c3,3.576,0.892,0.964,-0.084).
atm(m219,a5,c,c3,4.535,0.239,1.939,-0.112).
atm(m219,a6,h,h,0.134,-1.039,-0.330,0.050).
atm(m219,a7,h,h,-0.459,-0.031,0.998,0.036).
atm(m219,a8,h,h,-0.727,0.467,-0.677,0.040).
atm(m219,a9,h,h,1.721,0.820,-1.032,0.054).
atm(m219,a10,h,h,1.124,1.827,0.302,0.028).
atm(m219,a11,h,h,1.941,-0.064,1.756,0.047).
atm(m219,a12,h,h,4.024,0.939,-0.048,0.054).
atm(m219,a13,h,h,3.384,1.946,1.265,0.028).
atm(m219,a14,h,h,5.482,0.793,1.977,0.040).
atm(m219,a15,h,h,4.133,0.213,2.961,0.036).
atm(m219,a16,h,h,4.773,-0.795,1.655,0.050).
bond(m219,a1,a2,1).
bond(m219,a1,a6,1).
bond(m219,a1,a7,1).
bond(m219,a1,a8,1).
bond(m219,a2,a3,1).
bond(m219,a2,a9,1).
bond(m219,a2,a10,1).
bond(m219,a3,a4,1).
bond(m219,a3,a11,1).
bond(m219,a4,a5,1).
bond(m219,a4,a12,1).
bond(m219,a4,a13,1).
bond(m219,a5,a14,1).
bond(m219,a5,a15,1).
bond(m219,a5,a16,1).
atm(m21,a1,n,n3,2.099,2.424,0.000,-0.048).
atm(m21,a2,n,n3,1.402,1.133,-0.023,-0.121).
atm(m21,a3,c,c3,1.777,0.301,1.151,-0.078).
atm(m21,a4,c,c3,-0.071,1.322,-0.109,-0.078).
atm(m21,a5,h,h,3.074,2.207,-0.020,0.039).
atm(m21,a6,h,h,1.853,2.882,-0.853,0.039).
atm(m21,a7,h,h,2.861,0.125,1.155,0.043).
atm(m21,a8,h,h,1.495,0.743,2.119,0.035).
atm(m21,a9,h,h,1.279,-0.673,1.058,0.046).
atm(m21,a10,h,h,-0.504,1.847,0.755,0.035).
atm(m21,a11,h,h,-0.542,0.333,-0.183,0.046).
atm(m21,a12,h,h,-0.324,1.884,-1.018,0.043).
bond(m21,a1,a2,1).
bond(m21,a1,a5,1).
bond(m21,a1,a6,1).
bond(m21,a2,a3,1).
bond(m21,a2,a4,1).
bond(m21,a3,a7,1).
bond(m21,a3,a8,1).
bond(m21,a3,a9,1).
bond(m21,a4,a10,1).
bond(m21,a4,a11,1).
bond(m21,a4,a12,1).
atm(m220,a1,n,npl3,1.833,2.154,0.000,0.361).
atm(m220,a2,c,car,2.333,0.952,0.504,-0.310).
atm(m220,a3,c,car,1.282,0.312,1.150,-0.163).
atm(m220,a4,c,car,0.129,1.134,1.038,-0.163).
atm(m220,a5,c,car,0.479,2.274,0.324,-0.310).
atm(m220,a6,h,h,2.355,2.818,-0.507,0.056).
atm(m220,a7,h,h,3.366,0.627,0.382,0.142).
atm(m220,a8,h,h,1.329,-0.650,1.654,0.122).
atm(m220,a9,h,h,-0.854,0.907,1.442,0.122).
atm(m220,a10,h,h,-0.138,3.126,0.042,0.142).
bond(m220,a1,a2,ar).
bond(m220,a1,a5,ar).
bond(m220,a1,a6,1).
bond(m220,a2,a3,ar).
bond(m220,a2,a7,1).
bond(m220,a3,a4,ar).
bond(m220,a3,a8,1).
bond(m220,a4,a5,ar).
bond(m220,a4,a9,1).
bond(m220,a5,a10,1).
atm(m221,a1,o,o3,1.833,2.154,0.000,-0.273).
atm(m221,a2,c,c3,2.271,0.802,-0.002,0.063).
atm(m221,a3,c,c3,1.058,-0.114,0.173,-0.122).
atm(m221,a4,c,c3,0.421,2.205,-0.155,0.063).
atm(m221,a5,c,c3,-0.155,0.806,0.073,-0.122).
atm(m221,a6,h,h,3.004,0.731,0.817,0.046).
atm(m221,a7,h,h,2.805,0.625,-0.952,0.036).
atm(m221,a8,h,h,1.088,-0.643,1.143,0.057).
atm(m221,a9,h,h,1.038,-0.907,-0.596,0.057).
atm(m221,a10,h,h,0.209,2.593,-1.167,0.036).
atm(m221,a11,h,h,0.073,2.954,0.575,0.046).
atm(m221,a12,h,h,-0.771,0.767,0.990,0.057).
atm(m221,a13,h,h,-0.831,0.509,-0.750,0.057).
bond(m221,a1,a2,1).
bond(m221,a1,a4,1).
bond(m221,a2,a3,1).
bond(m221,a2,a6,1).
bond(m221,a2,a7,1).
bond(m221,a3,a5,1).
bond(m221,a3,a8,1).
bond(m221,a3,a9,1).
bond(m221,a4,a5,1).
bond(m221,a4,a10,1).
bond(m221,a4,a11,1).
bond(m221,a5,a12,1).
bond(m221,a5,a13,1).
atm(m222,a1,c,car,1.833,2.154,0.000,-0.179).
atm(m222,a2,c,car,2.236,0.842,0.000,-0.066).
atm(m222,a3,o,o3,1.140,0.007,0.000,-0.067).
atm(m222,a4,c,car,0.023,0.814,0.000,-0.066).
atm(m222,a5,c,car,0.392,2.136,0.000,-0.179).
atm(m222,a6,h,h,2.457,3.043,0.000,0.132).
atm(m222,a7,h,h,3.201,0.346,0.000,0.147).
atm(m222,a8,h,h,-0.930,0.293,0.000,0.147).
atm(m222,a9,h,h,-0.255,3.008,0.000,0.132).
bond(m222,a1,a2,ar).
bond(m222,a1,a5,ar).
bond(m222,a1,a6,1).
bond(m222,a2,a3,ar).
bond(m222,a2,a7,1).
bond(m222,a3,a4,ar).
bond(m222,a4,a5,ar).
bond(m222,a4,a8,1).
bond(m222,a5,a9,1).
atm(m223,a1,c,c3,1.911,0.000,0.000,-0.126).
atm(m223,a2,c,c3,0.829,1.053,0.158,-0.100).
atm(m223,a3,c,c3,0.737,1.900,-1.102,-0.127).
atm(m223,a4,c,c3,-0.515,0.400,0.453,-0.106).
atm(m223,a5,s,s3,1.086,2.158,1.651,-0.047).
atm(m223,a6,s,s3,3.026,2.573,1.986,-0.047).
atm(m223,a7,c,c3,3.658,3.986,0.926,-0.100).
atm(m223,a8,c,c3,2.645,5.105,0.762,-0.126).
atm(m223,a9,c,c3,4.084,3.463,-0.437,-0.128).
atm(m223,a10,c,c3,4.871,4.470,1.708,-0.106).
atm(m223,a11,h,h,2.901,0.459,-0.142,0.059).
atm(m223,a12,h,h,1.971,-0.658,0.877,0.063).
atm(m223,a13,h,h,1.713,-0.634,-0.875,0.051).
atm(m223,a14,h,h,1.696,2.398,-1.328,0.054).
atm(m223,a15,h,h,0.475,1.283,-1.973,0.051).
atm(m223,a16,h,h,-0.028,2.682,-1.008,0.060).
atm(m223,a17,h,h,-1.292,1.150,0.659,0.058).
atm(m223,a18,h,h,-0.852,-0.196,-0.407,0.050).
atm(m223,a19,h,h,-0.459,-0.272,1.319,0.061).
atm(m223,a20,h,h,3.059,5.918,0.149,0.051).
atm(m223,a21,h,h,1.730,4.750,0.266,0.059).
atm(m223,a22,h,h,2.355,5.537,1.730,0.063).
atm(m223,a23,h,h,4.798,2.632,-0.347,0.060).
atm(m223,a24,h,h,3.221,3.098,-1.020,0.054).
atm(m223,a25,h,h,4.568,4.253,-1.028,0.051).
atm(m223,a26,h,h,5.411,5.244,1.144,0.050).
atm(m223,a27,h,h,4.585,4.906,2.675,0.061).
atm(m223,a28,h,h,5.579,3.652,1.905,0.058).
bond(m223,a1,a2,1).
bond(m223,a1,a11,1).
bond(m223,a1,a12,1).
bond(m223,a1,a13,1).
bond(m223,a2,a3,1).
bond(m223,a2,a4,1).
bond(m223,a2,a5,1).
bond(m223,a3,a14,1).
bond(m223,a3,a15,1).
bond(m223,a3,a16,1).
bond(m223,a4,a17,1).
bond(m223,a4,a18,1).
bond(m223,a4,a19,1).
bond(m223,a5,a6,1).
bond(m223,a6,a7,1).
bond(m223,a7,a8,1).
bond(m223,a7,a9,1).
bond(m223,a7,a10,1).
bond(m223,a8,a20,1).
bond(m223,a8,a21,1).
bond(m223,a8,a22,1).
bond(m223,a9,a23,1).
bond(m223,a9,a24,1).
bond(m223,a9,a25,1).
bond(m223,a10,a26,1).
bond(m223,a10,a27,1).
bond(m223,a10,a28,1).
atm(m224,a1,c,c3,6.068,1.402,0.000,-0.173).
atm(m224,a2,c,c2,4.749,2.132,-0.007,0.278).
atm(m224,a3,o,o2,4.690,3.346,-0.028,-0.313).
atm(m224,a4,c,c3,3.535,1.232,0.017,-0.168).
atm(m224,a5,c,c3,2.204,1.961,-0.051,-0.091).
atm(m224,a6,c,c3,1.022,1.024,-0.312,-0.076).
atm(m224,a7,c,c3,1.187,0.298,-1.637,-0.119).
atm(m224,a8,c,c3,0.823,0.034,0.824,-0.114).
atm(m224,a9,h,h,6.930,2.082,-0.003,0.068).
atm(m224,a10,h,h,6.150,0.764,0.890,0.060).
atm(m224,a11,h,h,6.153,0.754,-0.882,0.060).
atm(m224,a12,h,h,3.600,0.513,-0.834,0.081).
atm(m224,a13,h,h,3.587,0.611,0.934,0.073).
atm(m224,a14,h,h,2.034,2.521,0.890,0.060).
atm(m224,a15,h,h,2.239,2.726,-0.853,0.065).
atm(m224,a16,h,h,0.104,1.660,-0.373,0.063).
atm(m224,a17,h,h,1.130,0.994,-2.484,0.042).
atm(m224,a18,h,h,2.170,-0.201,-1.691,0.041).
atm(m224,a19,h,h,0.413,-0.466,-1.780,0.043).
atm(m224,a20,h,h,0.751,0.546,1.792,0.042).
atm(m224,a21,h,h,-0.099,-0.547,0.687,0.041).
atm(m224,a22,h,h,1.652,-0.684,0.892,0.038).
bond(m224,a1,a2,1).
bond(m224,a1,a9,1).
bond(m224,a1,a10,1).
bond(m224,a1,a11,1).
bond(m224,a2,a3,2).
bond(m224,a2,a4,1).
bond(m224,a4,a5,1).
bond(m224,a4,a12,1).
bond(m224,a4,a13,1).
bond(m224,a5,a6,1).
bond(m224,a5,a14,1).
bond(m224,a5,a15,1).
bond(m224,a6,a7,1).
bond(m224,a6,a8,1).
bond(m224,a6,a16,1).
bond(m224,a7,a17,1).
bond(m224,a7,a18,1).
bond(m224,a7,a19,1).
bond(m224,a8,a20,1).
bond(m224,a8,a21,1).
bond(m224,a8,a22,1).
atm(m225,a1,c,c3,16.971,0.000,0.000,-0.147).
atm(m225,a2,c,c3,16.780,1.500,0.119,0.080).
atm(m225,a3,o,o3,15.415,1.886,0.010,-0.270).
atm(m225,a4,c,c2,14.596,1.818,1.101,0.371).
atm(m225,a5,o,o2,15.037,1.434,2.166,-0.379).
atm(m225,a6,c,c3,13.182,2.266,0.803,-0.103).
atm(m225,a7,c,c3,12.953,3.680,1.316,-0.096).
atm(m225,a8,c,c3,11.524,4.128,1.050,-0.102).
atm(m225,a9,c,c3,11.288,5.541,1.559,-0.101).
atm(m225,a10,c,c3,9.859,5.989,1.296,-0.101).
atm(m225,a11,c,c3,9.624,7.403,1.802,-0.102).
atm(m225,a12,c,c3,8.195,7.850,1.538,-0.096).
atm(m225,a13,c,c3,7.969,9.267,2.044,-0.102).
atm(m225,a14,c,c2,6.554,9.714,1.748,0.372).
atm(m225,a15,o,o2,6.095,10.063,0.678,-0.382).
atm(m225,a16,o,o3,5.751,9.705,2.850,-0.270).
atm(m225,a17,c,c3,4.386,10.100,2.705,0.078).
atm(m225,a18,c,c3,3.756,9.986,4.080,-0.124).
atm(m225,a19,h,h,18.041,-0.240,-0.050,0.048).
atm(m225,a20,h,h,16.552,-0.538,0.861,0.058).
atm(m225,a21,h,h,16.498,-0.406,-0.903,0.048).
atm(m225,a22,h,h,17.241,1.896,1.043,0.055).
atm(m225,a23,h,h,17.212,2.039,-0.742,0.052).
atm(m225,a24,h,h,12.969,2.213,-0.285,0.076).
atm(m225,a25,h,h,12.476,1.560,1.285,0.076).
atm(m225,a26,h,h,13.170,3.731,2.402,0.065).
atm(m225,a27,h,h,13.664,4.379,0.833,0.058).
atm(m225,a28,h,h,11.305,4.074,-0.036,0.053).
atm(m225,a29,h,h,10.811,3.428,1.532,0.053).
atm(m225,a30,h,h,11.508,5.594,2.644,0.053).
atm(m225,a31,h,h,12.000,6.240,1.076,0.053).
atm(m225,a32,h,h,9.638,5.934,0.211,0.053).
atm(m225,a33,h,h,9.148,5.290,1.780,0.053).
atm(m225,a34,h,h,9.845,7.459,2.888,0.053).
atm(m225,a35,h,h,10.336,8.102,1.318,0.053).
atm(m225,a36,h,h,7.974,7.793,0.453,0.065).
atm(m225,a37,h,h,7.484,7.154,2.027,0.058).
atm(m225,a38,h,h,8.186,9.326,3.130,0.076).
atm(m225,a39,h,h,8.672,9.970,1.554,0.076).
atm(m225,a40,h,h,4.337,11.136,2.320,0.047).
atm(m225,a41,h,h,3.883,9.443,1.971,0.047).
atm(m225,a42,h,h,3.799,8.960,4.470,0.049).
atm(m225,a43,h,h,4.248,10.635,4.816,0.049).
atm(m225,a44,h,h,2.700,10.279,4.034,0.048).
bond(m225,a1,a2,1).
bond(m225,a1,a19,1).
bond(m225,a1,a20,1).
bond(m225,a1,a21,1).
bond(m225,a2,a3,1).
bond(m225,a2,a22,1).
bond(m225,a2,a23,1).
bond(m225,a3,a4,1).
bond(m225,a4,a5,2).
bond(m225,a4,a6,1).
bond(m225,a6,a7,1).
bond(m225,a6,a24,1).
bond(m225,a6,a25,1).
bond(m225,a7,a8,1).
bond(m225,a7,a26,1).
bond(m225,a7,a27,1).
bond(m225,a8,a9,1).
bond(m225,a8,a28,1).
bond(m225,a8,a29,1).
bond(m225,a9,a10,1).
bond(m225,a9,a30,1).
bond(m225,a9,a31,1).
bond(m225,a10,a11,1).
bond(m225,a10,a32,1).
bond(m225,a10,a33,1).
bond(m225,a11,a12,1).
bond(m225,a11,a34,1).
bond(m225,a11,a35,1).
bond(m225,a12,a13,1).
bond(m225,a12,a36,1).
bond(m225,a12,a37,1).
bond(m225,a13,a14,1).
bond(m225,a13,a38,1).
bond(m225,a13,a39,1).
bond(m225,a14,a15,2).
bond(m225,a14,a16,1).
bond(m225,a16,a17,1).
bond(m225,a17,a18,1).
bond(m225,a17,a40,1).
bond(m225,a17,a41,1).
bond(m225,a18,a42,1).
bond(m225,a18,a43,1).
bond(m225,a18,a44,1).
atm(m226,a1,c,c3,0.000,0.000,0.000,-0.110).
atm(m226,a2,c,c3,1.314,0.758,0.000,-0.097).
atm(m226,a3,c,c3,2.515,-0.175,0.001,-0.101).
atm(m226,a4,c,c3,3.820,0.606,0.001,-0.096).
atm(m226,a5,c,c3,5.015,-0.331,0.002,-0.152).
atm(m226,a6,c,c2,6.356,0.368,0.002,0.275).
atm(m226,a7,o,o2,6.487,1.577,0.002,-0.312).
atm(m226,a8,c,c3,7.546,-0.558,0.003,-0.173).
atm(m226,a9,h,h,0.143,-1.089,0.000,0.040).
atm(m226,a10,h,h,-0.608,0.240,0.882,0.037).
atm(m226,a11,h,h,-0.608,0.241,-0.882,0.037).
atm(m226,a12,h,h,1.369,1.429,-0.880,0.050).
atm(m226,a13,h,h,1.369,1.430,0.880,0.050).
atm(m226,a14,h,h,2.473,-0.845,0.884,0.049).
atm(m226,a15,h,h,2.474,-0.845,-0.882,0.049).
atm(m226,a16,h,h,3.863,1.275,-0.881,0.063).
atm(m226,a17,h,h,3.862,1.276,0.883,0.063).
atm(m226,a18,h,h,4.974,-0.999,0.886,0.070).
atm(m226,a19,h,h,4.975,-1.000,-0.882,0.070).
atm(m226,a20,h,h,8.503,-0.020,0.003,0.068).
atm(m226,a21,h,h,7.528,-1.205,0.889,0.060).
atm(m226,a22,h,h,7.528,-1.206,-0.883,0.060).
bond(m226,a1,a2,1).
bond(m226,a1,a9,1).
bond(m226,a1,a10,1).
bond(m226,a1,a11,1).
bond(m226,a2,a3,1).
bond(m226,a2,a12,1).
bond(m226,a2,a13,1).
bond(m226,a3,a4,1).
bond(m226,a3,a14,1).
bond(m226,a3,a15,1).
bond(m226,a4,a5,1).
bond(m226,a4,a16,1).
bond(m226,a4,a17,1).
bond(m226,a5,a6,1).
bond(m226,a5,a18,1).
bond(m226,a5,a19,1).
bond(m226,a6,a7,2).
bond(m226,a6,a8,1).
bond(m226,a8,a20,1).
bond(m226,a8,a21,1).
bond(m226,a8,a22,1).
atm(m227,a1,c,c3,0.000,0.000,0.000,-0.110).
atm(m227,a2,c,c3,1.315,0.758,0.000,-0.097).
atm(m227,a3,c,c3,2.515,-0.176,0.001,-0.102).
atm(m227,a4,c,c3,3.822,0.601,0.001,-0.104).
atm(m227,a5,c,c3,5.022,-0.332,0.001,-0.098).
atm(m227,a6,c,c3,6.323,0.439,0.001,-0.109).
atm(m227,a7,h,h,0.143,-1.089,0.000,0.041).
atm(m227,a8,h,h,-0.608,0.240,0.882,0.036).
atm(m227,a9,h,h,-0.608,0.241,-0.882,0.036).
atm(m227,a10,h,h,1.369,1.429,-0.880,0.048).
atm(m227,a11,h,h,1.369,1.429,0.880,0.048).
atm(m227,a12,h,h,2.474,-0.845,0.883,0.051).
atm(m227,a13,h,h,2.474,-0.845,-0.882,0.051).
atm(m227,a14,h,h,3.865,1.271,-0.882,0.051).
atm(m227,a15,h,h,3.865,1.271,0.883,0.051).
atm(m227,a16,h,h,4.979,-1.001,0.884,0.048).
atm(m227,a17,h,h,4.979,-1.001,-0.881,0.048).
atm(m227,a18,h,h,7.187,-0.237,0.002,0.037).
atm(m227,a19,h,h,6.411,1.084,-0.883,0.038).
atm(m227,a20,h,h,6.411,1.085,0.885,0.038).
bond(m227,a1,a2,1).
bond(m227,a1,a7,1).
bond(m227,a1,a8,1).
bond(m227,a1,a9,1).
bond(m227,a2,a3,1).
bond(m227,a2,a10,1).
bond(m227,a2,a11,1).
bond(m227,a3,a4,1).
bond(m227,a3,a12,1).
bond(m227,a3,a13,1).
bond(m227,a4,a5,1).
bond(m227,a4,a14,1).
bond(m227,a4,a15,1).
bond(m227,a5,a6,1).
bond(m227,a5,a16,1).
bond(m227,a5,a17,1).
bond(m227,a6,a18,1).
bond(m227,a6,a19,1).
bond(m227,a6,a20,1).
atm(m228,a1,cl,cl,0.000,0.000,0.000,-0.069).
atm(m228,a2,c,c3,1.542,0.886,0.000,-0.072).
atm(m228,a3,c,c3,2.676,-0.114,0.000,-0.120).
atm(m228,a4,c,c3,4.022,0.591,0.000,-0.120).
atm(m228,a5,c,c3,5.156,-0.408,-0.001,-0.072).
atm(m228,a6,cl,cl,6.698,0.478,-0.001,-0.069).
atm(m228,a7,h,h,1.569,1.541,-0.889,0.064).
atm(m228,a8,h,h,1.569,1.540,0.891,0.064).
atm(m228,a9,h,h,2.591,-0.779,0.882,0.066).
atm(m228,a10,h,h,2.591,-0.778,-0.884,0.066).
atm(m228,a11,h,h,4.107,1.257,-0.882,0.066).
atm(m228,a12,h,h,4.107,1.256,0.884,0.066).
atm(m228,a13,h,h,5.130,-1.063,0.889,0.064).
atm(m228,a14,h,h,5.128,-1.062,-0.891,0.064).
bond(m228,a1,a2,1).
bond(m228,a2,a3,1).
bond(m228,a2,a7,1).
bond(m228,a2,a8,1).
bond(m228,a3,a4,1).
bond(m228,a3,a9,1).
bond(m228,a3,a10,1).
bond(m228,a4,a5,1).
bond(m228,a4,a11,1).
bond(m228,a4,a12,1).
bond(m228,a5,a6,1).
bond(m228,a5,a13,1).
bond(m228,a5,a14,1).
atm(m229,a1,c,c3,0.000,0.000,0.000,-0.110).
atm(m229,a2,c,c3,1.314,0.758,0.000,-0.097).
atm(m229,a3,c,c3,2.515,-0.176,-0.003,-0.101).
atm(m229,a4,c,c3,3.821,0.603,-0.002,-0.105).
atm(m229,a5,c,c3,5.016,-0.345,-0.008,-0.103).
atm(m229,a6,n,n3,6.287,0.409,0.063,-0.036).
atm(m229,a7,h,h,0.143,-1.089,0.001,0.041).
atm(m229,a8,h,h,-0.608,0.241,0.881,0.036).
atm(m229,a9,h,h,-0.607,0.240,-0.882,0.036).
atm(m229,a10,h,h,1.368,1.431,-0.878,0.047).
atm(m229,a11,h,h,1.370,1.428,0.882,0.049).
atm(m229,a12,h,h,2.474,-0.847,0.879,0.052).
atm(m229,a13,h,h,2.472,-0.844,-0.887,0.049).
atm(m229,a14,h,h,3.856,1.277,-0.883,0.049).
atm(m229,a15,h,h,3.862,1.269,0.884,0.064).
atm(m229,a16,h,h,4.980,-1.011,0.877,0.055).
atm(m229,a17,h,h,4.960,-1.012,-0.897,0.026).
atm(m229,a18,h,h,7.051,-0.230,0.006,0.024).
atm(m229,a19,h,h,6.342,1.052,-0.700,0.022).
bond(m229,a1,a2,1).
bond(m229,a1,a7,1).
bond(m229,a1,a8,1).
bond(m229,a1,a9,1).
bond(m229,a2,a3,1).
bond(m229,a2,a10,1).
bond(m229,a2,a11,1).
bond(m229,a3,a4,1).
bond(m229,a3,a12,1).
bond(m229,a3,a13,1).
bond(m229,a4,a5,1).
bond(m229,a4,a14,1).
bond(m229,a4,a15,1).
bond(m229,a5,a6,1).
bond(m229,a5,a16,1).
bond(m229,a5,a17,1).
bond(m229,a6,a18,1).
bond(m229,a6,a19,1).
atm(m22,a1,c,c3,5.505,2.955,-0.916,-0.141).
atm(m22,a2,c,c3,4.164,3.657,-0.734,-0.061).
atm(m22,a3,c,c3,2.993,2.634,-0.695,-0.083).
atm(m22,a4,c,c2,3.165,1.626,0.445,0.263).
atm(m22,a5,n,nam,2.876,0.233,0.211,0.011).
atm(m22,a6,c,c2,2.883,-0.234,-1.118,0.167).
atm(m22,a7,o,o3,2.834,-1.577,-1.203,-0.234).
atm(m22,a8,n,n2,2.905,0.509,-2.202,-0.326).
atm(m22,a9,o,o2,3.481,1.860,1.595,-0.321).
atm(m22,a10,c,c2,2.965,1.937,-2.089,0.299).
atm(m22,a11,o,o2,2.953,2.540,-3.140,-0.285).
atm(m22,a12,c,c3,1.607,3.321,-0.584,-0.086).
atm(m22,a13,c,c3,1.105,3.637,0.806,-0.133).
atm(m22,a14,c,c3,4.249,4.602,0.466,-0.129).
atm(m22,a15,c,c3,5.180,5.771,0.170,-0.103).
atm(m22,a16,c,c3,5.403,6.625,1.397,-0.108).
atm(m22,a17,h,h,5.715,2.246,-0.104,0.044).
atm(m22,a18,h,h,5.562,2.409,-1.865,0.052).
atm(m22,a19,h,h,6.317,3.704,-0.911,0.061).
atm(m22,a20,h,h,3.982,4.297,-1.638,0.090).
atm(m22,a21,h,h,3.041,-0.422,0.948,0.118).
atm(m22,a22,h,h,2.796,-1.835,-2.119,0.246).
atm(m22,a23,h,h,1.646,4.256,-1.181,0.075).
atm(m22,a24,h,h,0.849,2.683,-1.085,0.058).
atm(m22,a25,h,h,0.942,2.733,1.408,0.047).
atm(m22,a26,h,h,1.804,4.281,1.363,0.064).
atm(m22,a27,h,h,0.145,4.167,0.752,0.048).
atm(m22,a28,h,h,3.241,4.986,0.732,0.068).
atm(m22,a29,h,h,4.608,4.060,1.365,0.077).
atm(m22,a30,h,h,6.148,5.374,-0.211,0.056).
atm(m22,a31,h,h,4.767,6.388,-0.652,0.050).
atm(m22,a32,h,h,4.460,7.037,1.779,0.038).
atm(m22,a33,h,h,5.862,6.051,2.213,0.040).
atm(m22,a34,h,h,6.067,7.470,1.176,0.038).
bond(m22,a1,a2,1).
bond(m22,a1,a17,1).
bond(m22,a1,a18,1).
bond(m22,a1,a19,1).
bond(m22,a2,a3,1).
bond(m22,a2,a14,1).
bond(m22,a2,a20,1).
bond(m22,a3,a4,1).
bond(m22,a3,a10,1).
bond(m22,a3,a12,1).
bond(m22,a4,a5,1).
bond(m22,a4,a9,2).
bond(m22,a5,a6,1).
bond(m22,a5,a21,1).
bond(m22,a6,a7,1).
bond(m22,a6,a8,2).
bond(m22,a7,a22,1).
bond(m22,a8,a10,1).
bond(m22,a10,a11,2).
bond(m22,a12,a13,1).
bond(m22,a12,a23,1).
bond(m22,a12,a24,1).
bond(m22,a13,a25,1).
bond(m22,a13,a26,1).
bond(m22,a13,a27,1).
bond(m22,a14,a15,1).
bond(m22,a14,a28,1).
bond(m22,a14,a29,1).
bond(m22,a15,a16,1).
bond(m22,a15,a30,1).
bond(m22,a15,a31,1).
bond(m22,a16,a32,1).
bond(m22,a16,a33,1).
bond(m22,a16,a34,1).
atm(m230,a1,c,c3,0.000,0.000,0.000,-0.111).
atm(m230,a2,c,c3,1.314,0.759,0.000,-0.096).
atm(m230,a3,c,c3,2.514,-0.175,0.001,-0.094).
atm(m230,a4,c,c3,3.818,0.603,0.001,-0.188).
atm(m230,a5,c,c2,5.015,-0.316,0.002,0.279).
atm(m230,a6,o,o2,6.154,0.091,0.004,-0.319).
atm(m230,a7,h,h,0.143,-1.089,-0.001,0.042).
atm(m230,a8,h,h,-0.608,0.240,0.882,0.038).
atm(m230,a9,h,h,-0.608,0.241,-0.882,0.038).
atm(m230,a10,h,h,1.369,1.430,-0.880,0.050).
atm(m230,a11,h,h,1.368,1.430,0.880,0.050).
atm(m230,a12,h,h,2.473,-0.845,0.884,0.052).
atm(m230,a13,h,h,2.473,-0.845,-0.882,0.052).
atm(m230,a14,h,h,3.865,1.275,-0.881,0.081).
atm(m230,a15,h,h,3.865,1.275,0.883,0.081).
atm(m230,a16,h,h,4.819,-1.402,0.000,0.046).
bond(m230,a1,a2,1).
bond(m230,a1,a7,1).
bond(m230,a1,a8,1).
bond(m230,a1,a9,1).
bond(m230,a2,a3,1).
bond(m230,a2,a10,1).
bond(m230,a2,a11,1).
bond(m230,a3,a4,1).
bond(m230,a3,a12,1).
bond(m230,a3,a13,1).
bond(m230,a4,a5,1).
bond(m230,a4,a14,1).
bond(m230,a4,a15,1).
bond(m230,a5,a6,2).
bond(m230,a5,a16,1).
atm(m231,a1,c,c3,0.700,0.000,0.000,0.220).
atm(m231,a2,o,o3,0.175,1.307,0.024,-0.321).
atm(m231,a3,c,c1,2.146,-0.075,-0.004,-0.209).
atm(m231,a4,c,c1,3.335,-0.149,-0.008,-0.155).
atm(m231,a5,c,c3,4.780,-0.243,-0.013,0.220).
atm(m231,a6,o,o3,5.307,1.066,-0.009,-0.302).
atm(m231,a7,h,h,0.292,-0.518,0.888,0.046).
atm(m231,a8,h,h,0.288,-0.486,-0.905,0.046).
atm(m231,a9,h,h,0.895,1.923,0.036,0.202).
atm(m231,a10,h,h,5.116,-0.808,0.881,0.032).
atm(m231,a11,h,h,5.110,-0.799,-0.913,0.032).
atm(m231,a12,h,h,6.250,0.970,-0.006,0.189).
bond(m231,a1,a2,1).
bond(m231,a1,a3,1).
bond(m231,a1,a7,1).
bond(m231,a1,a8,1).
bond(m231,a2,a9,1).
bond(m231,a3,a4,3).
bond(m231,a4,a5,1).
bond(m231,a5,a6,1).
bond(m231,a5,a10,1).
bond(m231,a5,a11,1).
bond(m231,a6,a12,1).
atm(m232,a1,c,c3,0.000,0.000,0.000,-0.112).
atm(m232,a2,c,c3,1.303,0.774,0.001,-0.084).
atm(m232,a3,n,n3,2.323,0.099,0.843,-0.068).
atm(m232,a4,c,c3,3.564,0.900,0.990,-0.105).
atm(m232,a5,c,c3,4.585,0.123,1.829,0.074).
atm(m232,a6,o,o3,5.721,0.947,1.961,-0.313).
atm(m232,a7,h,h,0.134,-1.035,-0.343,0.050).
atm(m232,a8,h,h,-0.457,-0.044,0.998,0.036).
atm(m232,a9,h,h,-0.729,0.475,-0.670,0.041).
atm(m232,a10,h,h,1.717,0.835,-1.025,0.056).
atm(m232,a11,h,h,1.124,1.823,0.324,0.031).
atm(m232,a12,h,h,1.940,-0.099,1.745,0.045).
atm(m232,a13,h,h,3.965,1.091,-0.025,0.065).
atm(m232,a14,h,h,3.371,1.900,1.438,0.044).
atm(m232,a15,h,h,4.184,-0.115,2.836,0.020).
atm(m232,a16,h,h,4.853,-0.837,1.346,0.033).
atm(m232,a17,h,h,6.397,0.412,2.352,0.187).
bond(m232,a1,a2,1).
bond(m232,a1,a7,1).
bond(m232,a1,a8,1).
bond(m232,a1,a9,1).
bond(m232,a2,a3,1).
bond(m232,a2,a10,1).
bond(m232,a2,a11,1).
bond(m232,a3,a4,1).
bond(m232,a3,a12,1).
bond(m232,a4,a5,1).
bond(m232,a4,a13,1).
bond(m232,a4,a14,1).
bond(m232,a5,a6,1).
bond(m232,a5,a15,1).
bond(m232,a5,a16,1).
bond(m232,a6,a17,1).
atm(m233,a1,c,c3,2.425,0.700,0.000,-0.093).
atm(m233,a2,c,c3,1.082,-0.020,-0.003,-0.094).
atm(m233,a3,c,c3,0.010,0.799,-0.700,-0.094).
atm(m233,a4,c,c3,-0.241,2.120,0.018,-0.093).
atm(m233,a5,c,c3,1.003,2.644,0.726,-0.094).
atm(m233,a6,c,c3,2.273,2.217,0.013,-0.094).
atm(m233,a7,h,h,3.020,0.401,-0.884,0.045).
atm(m233,a8,h,h,3.015,0.368,0.877,0.045).
atm(m233,a9,h,h,0.762,-0.232,1.037,0.049).
atm(m233,a10,h,h,1.183,-1.009,-0.490,0.047).
atm(m233,a11,h,h,-0.931,0.220,-0.767,0.047).
atm(m233,a12,h,h,0.317,0.989,-1.748,0.049).
atm(m233,a13,h,h,-1.059,2.004,0.756,0.045).
atm(m233,a14,h,h,-0.609,2.867,-0.712,0.045).
atm(m233,a15,h,h,1.028,2.277,1.771,0.049).
atm(m233,a16,h,h,0.959,3.748,0.799,0.047).
atm(m233,a17,h,h,2.260,2.605,-1.025,0.049).
atm(m233,a18,h,h,3.155,2.681,0.493,0.047).
bond(m233,a1,a2,1).
bond(m233,a1,a6,1).
bond(m233,a1,a7,1).
bond(m233,a1,a8,1).
bond(m233,a2,a3,1).
bond(m233,a2,a9,1).
bond(m233,a2,a10,1).
bond(m233,a3,a4,1).
bond(m233,a3,a11,1).
bond(m233,a3,a12,1).
bond(m233,a4,a5,1).
bond(m233,a4,a13,1).
bond(m233,a4,a14,1).
bond(m233,a5,a6,1).
bond(m233,a5,a15,1).
bond(m233,a5,a16,1).
bond(m233,a6,a17,1).
bond(m233,a6,a18,1).
atm(m234,a1,n,nar,2.425,0.700,0.000,-0.080).
atm(m234,a2,c,car,1.251,0.028,0.000,-0.062).
atm(m234,a3,c,car,0.027,0.698,0.000,-0.151).
atm(m234,a4,c,car,0.018,2.090,0.000,-0.065).
atm(m234,a5,c,car,1.228,2.778,0.000,-0.151).
atm(m234,a6,c,car,2.420,2.053,0.000,-0.062).
atm(m234,a7,h,h,1.327,-1.065,0.000,0.118).
atm(m234,a8,h,h,-0.911,0.134,0.000,0.114).
atm(m234,a9,h,h,-0.930,2.637,0.000,0.107).
atm(m234,a10,h,h,1.248,3.872,0.000,0.114).
atm(m234,a11,h,h,3.405,2.533,0.000,0.118).
bond(m234,a1,a2,ar).
bond(m234,a1,a6,ar).
bond(m234,a2,a3,ar).
bond(m234,a2,a7,1).
bond(m234,a3,a4,ar).
bond(m234,a3,a8,1).
bond(m234,a4,a5,ar).
bond(m234,a4,a9,1).
bond(m234,a5,a6,ar).
bond(m234,a5,a10,1).
bond(m234,a6,a11,1).
atm(m235,a1,c,c3,2.425,0.700,0.000,0.221).
atm(m235,a2,o,o3,1.159,0.062,-0.019,-0.325).
atm(m235,a3,c,c3,0.061,0.934,0.083,0.233).
atm(m235,a4,o,o3,0.192,1.888,-0.941,-0.322).
atm(m235,a5,c,c3,1.392,2.639,-0.891,0.219).
atm(m235,a6,o,o3,2.283,2.098,0.055,-0.308).
atm(m235,a7,h,h,2.966,0.350,-0.896,0.039).
atm(m235,a8,h,h,2.968,0.446,0.923,0.051).
atm(m235,a9,h,h,-0.041,1.385,1.088,0.034).
atm(m235,a10,h,h,-0.819,0.333,-0.184,0.069).
atm(m235,a11,h,h,1.205,3.663,-0.531,0.050).
atm(m235,a12,h,h,1.792,2.639,-1.919,0.041).
bond(m235,a1,a2,1).
bond(m235,a1,a6,1).
bond(m235,a1,a7,1).
bond(m235,a1,a8,1).
bond(m235,a2,a3,1).
bond(m235,a3,a4,1).
bond(m235,a3,a9,1).
bond(m235,a3,a10,1).
bond(m235,a4,a5,1).
bond(m235,a5,a6,1).
bond(m235,a5,a11,1).
bond(m235,a5,a12,1).
atm(m236,a1,c,c3,7.268,0.000,0.000,-0.173).
atm(m236,a2,c,c2,5.949,0.729,0.000,0.275).
atm(m236,a3,o,o2,5.889,1.944,0.001,-0.313).
atm(m236,a4,c,c3,4.732,-0.170,-0.001,-0.152).
atm(m236,a5,c,c3,3.407,0.573,-0.001,-0.052).
atm(m236,a6,c,c2,2.254,-0.367,-0.003,-0.165).
atm(m236,a7,c,c2,0.967,0.008,-0.004,-0.119).
atm(m236,a8,c,c3,-0.122,-1.007,-0.006,-0.070).
atm(m236,a9,c,c3,0.505,1.419,-0.003,-0.074).
atm(m236,a10,h,h,8.129,0.680,0.002,0.068).
atm(m236,a11,h,h,7.350,-0.645,0.885,0.061).
atm(m236,a12,h,h,7.352,-0.641,-0.887,0.061).
atm(m236,a13,h,h,4.797,-0.836,-0.886,0.071).
atm(m236,a14,h,h,4.796,-0.838,0.882,0.071).
atm(m236,a15,h,h,3.349,1.240,0.884,0.069).
atm(m236,a16,h,h,3.350,1.242,-0.884,0.069).
atm(m236,a17,h,h,2.500,-1.437,-0.003,0.101).
atm(m236,a18,h,h,0.257,-2.038,-0.006,0.041).
atm(m236,a19,h,h,-0.762,-0.890,0.880,0.045).
atm(m236,a20,h,h,-0.760,-0.888,-0.892,0.045).
atm(m236,a21,h,h,1.330,2.144,-0.002,0.050).
atm(m236,a22,h,h,-0.111,1.622,-0.890,0.046).
atm(m236,a23,h,h,-0.113,1.620,0.883,0.046).
bond(m236,a1,a2,1).
bond(m236,a1,a10,1).
bond(m236,a1,a11,1).
bond(m236,a1,a12,1).
bond(m236,a2,a3,2).
bond(m236,a2,a4,1).
bond(m236,a4,a5,1).
bond(m236,a4,a13,1).
bond(m236,a4,a14,1).
bond(m236,a5,a6,1).
bond(m236,a5,a15,1).
bond(m236,a5,a16,1).
bond(m236,a6,a7,2).
bond(m236,a6,a17,1).
bond(m236,a7,a8,1).
bond(m236,a7,a9,1).
bond(m236,a8,a18,1).
bond(m236,a8,a19,1).
bond(m236,a8,a20,1).
bond(m236,a9,a21,1).
bond(m236,a9,a22,1).
bond(m236,a9,a23,1).
atm(m237,a1,c,c3,2.100,0.000,0.000,-0.180).
atm(m237,a2,c,c2,1.384,1.318,0.104,0.277).
atm(m237,a3,o,o2,0.524,1.523,0.940,-0.313).
atm(m237,a4,c,c3,1.792,2.383,-0.898,-0.154).
atm(m237,a5,c,c3,2.958,3.219,-0.388,-0.089).
atm(m237,a6,c,c3,4.299,2.529,-0.583,-0.115).
atm(m237,a7,c,c3,5.432,3.342,0.020,-0.102).
atm(m237,a8,c,c3,6.775,2.662,-0.189,-0.097).
atm(m237,a9,c,c3,7.904,3.468,0.413,-0.110).
atm(m237,a10,h,h,3.191,0.162,0.039,0.071).
atm(m237,a11,h,h,1.832,-0.698,0.803,0.068).
atm(m237,a12,h,h,1.869,-0.485,-0.957,0.063).
atm(m237,a13,h,h,2.049,1.906,-1.864,0.065).
atm(m237,a14,h,h,0.930,3.047,-1.110,0.074).
atm(m237,a15,h,h,2.967,4.192,-0.918,0.054).
atm(m237,a16,h,h,2.807,3.467,0.682,0.062).
atm(m237,a17,h,h,4.272,1.512,-0.129,0.056).
atm(m237,a18,h,h,4.485,2.362,-1.664,0.052).
atm(m237,a19,h,h,5.449,4.357,-0.428,0.053).
atm(m237,a20,h,h,5.253,3.499,1.103,0.054).
atm(m237,a21,h,h,6.756,1.646,0.255,0.048).
atm(m237,a22,h,h,6.956,2.508,-1.272,0.048).
atm(m237,a23,h,h,7.771,3.605,1.495,0.039).
atm(m237,a24,h,h,8.872,2.974,0.261,0.038).
atm(m237,a25,h,h,7.971,4.468,-0.035,0.038).
bond(m237,a1,a2,1).
bond(m237,a1,a10,1).
bond(m237,a1,a11,1).
bond(m237,a1,a12,1).
bond(m237,a2,a3,2).
bond(m237,a2,a4,1).
bond(m237,a4,a5,1).
bond(m237,a4,a13,1).
bond(m237,a4,a14,1).
bond(m237,a5,a6,1).
bond(m237,a5,a15,1).
bond(m237,a5,a16,1).
bond(m237,a6,a7,1).
bond(m237,a6,a17,1).
bond(m237,a6,a18,1).
bond(m237,a7,a8,1).
bond(m237,a7,a19,1).
bond(m237,a7,a20,1).
bond(m237,a8,a9,1).
bond(m237,a8,a21,1).
bond(m237,a8,a22,1).
bond(m237,a9,a23,1).
bond(m237,a9,a24,1).
bond(m237,a9,a25,1).
atm(m238,a1,c,c3,2.100,0.000,0.000,-0.150).
atm(m238,a2,c,c2,1.284,1.253,-0.113,0.348).
atm(m238,a3,o,o2,0.329,1.453,-0.833,-0.334).
atm(m238,a4,o,o3,1.523,2.389,0.615,-0.237).
atm(m238,a5,c,c3,2.576,2.408,1.559,0.041).
atm(m238,a6,c,c3,3.950,2.554,0.885,0.021).
atm(m238,a7,o,o3,4.897,2.650,1.934,-0.264).
atm(m238,a8,c,c3,6.218,2.899,1.473,0.068).
atm(m238,a9,c,c3,7.111,2.957,2.697,-0.121).
atm(m238,a10,h,h,3.178,0.229,-0.066,0.073).
atm(m238,a11,h,h,1.917,-0.498,0.962,0.071).
atm(m238,a12,h,h,1.851,-0.710,-0.798,0.078).
atm(m238,a13,h,h,2.317,3.296,2.163,0.076).
atm(m238,a14,h,h,2.538,1.520,2.219,0.049).
atm(m238,a15,h,h,4.170,1.666,0.250,0.032).
atm(m238,a16,h,h,3.988,3.447,0.232,0.049).
atm(m238,a17,h,h,6.534,2.094,0.781,0.026).
atm(m238,a18,h,h,6.248,3.851,0.907,0.031).
atm(m238,a19,h,h,7.097,2.015,3.261,0.049).
atm(m238,a20,h,h,8.149,3.149,2.399,0.045).
atm(m238,a21,h,h,6.810,3.755,3.388,0.051).
bond(m238,a1,a2,1).
bond(m238,a1,a10,1).
bond(m238,a1,a11,1).
bond(m238,a1,a12,1).
bond(m238,a2,a3,2).
bond(m238,a2,a4,1).
bond(m238,a4,a5,1).
bond(m238,a5,a6,1).
bond(m238,a5,a13,1).
bond(m238,a5,a14,1).
bond(m238,a6,a7,1).
bond(m238,a6,a15,1).
bond(m238,a6,a16,1).
bond(m238,a7,a8,1).
bond(m238,a8,a9,1).
bond(m238,a8,a17,1).
bond(m238,a8,a18,1).
bond(m238,a9,a19,1).
bond(m238,a9,a20,1).
bond(m238,a9,a21,1).
atm(m239,a1,br,br,0.000,0.000,0.000,-0.139).
atm(m239,a2,c,c3,1.696,0.974,0.006,-0.031).
atm(m239,a3,c,c3,2.739,-0.103,-0.009,-0.130).
atm(m239,a4,c,c3,4.140,0.487,-0.005,-0.096).
atm(m239,a5,c,c3,5.195,-0.607,-0.022,-0.103).
atm(m239,a6,c,c3,6.599,-0.022,-0.016,-0.097).
atm(m239,a7,c,c3,7.650,-1.109,-0.034,-0.110).
atm(m239,a8,h,h,1.711,1.624,-0.882,0.069).
atm(m239,a9,h,h,1.716,1.604,0.908,0.069).
atm(m239,a10,h,h,2.596,-0.769,0.865,0.072).
atm(m239,a11,h,h,2.593,-0.748,-0.899,0.072).
atm(m239,a12,h,h,4.272,1.155,-0.879,0.052).
atm(m239,a13,h,h,4.276,1.132,0.887,0.052).
atm(m239,a14,h,h,5.062,-1.276,0.852,0.054).
atm(m239,a15,h,h,5.058,-1.252,-0.914,0.054).
atm(m239,a16,h,h,6.732,0.647,-0.890,0.049).
atm(m239,a17,h,h,6.735,0.622,0.875,0.049).
atm(m239,a18,h,h,8.662,-0.684,-0.030,0.038).
atm(m239,a19,h,h,7.567,-1.767,0.841,0.039).
atm(m239,a20,h,h,7.563,-1.742,-0.927,0.039).
bond(m239,a1,a2,1).
bond(m239,a2,a3,1).
bond(m239,a2,a8,1).
bond(m239,a2,a9,1).
bond(m239,a3,a4,1).
bond(m239,a3,a10,1).
bond(m239,a3,a11,1).
bond(m239,a4,a5,1).
bond(m239,a4,a12,1).
bond(m239,a4,a13,1).
bond(m239,a5,a6,1).
bond(m239,a5,a14,1).
bond(m239,a5,a15,1).
bond(m239,a6,a7,1).
bond(m239,a6,a16,1).
bond(m239,a6,a17,1).
bond(m239,a7,a18,1).
bond(m239,a7,a19,1).
bond(m239,a7,a20,1).
atm(m23,a1,n,nam,5.764,0.000,0.000,-0.034).
atm(m23,a2,c,c2,4.497,0.633,-0.206,0.249).
atm(m23,a3,o,o2,3.560,-0.137,-0.308,-0.325).
atm(m23,a4,c,c3,4.397,2.164,-0.236,-0.057).
atm(m23,a5,c,c3,3.703,2.671,1.049,-0.095).
atm(m23,a6,c,c3,2.312,2.116,1.263,-0.128).
atm(m23,a7,c,c3,3.556,2.549,-1.474,-0.103).
atm(m23,a8,c,c3,3.372,4.049,-1.657,-0.121).
atm(m23,a9,c,c3,2.196,4.379,-2.578,-0.071).
atm(m23,a10,c,c3,2.501,4.013,-4.021,-0.116).
atm(m23,a11,c,c3,1.864,5.860,-2.475,-0.113).
atm(m23,a12,c,c2,5.778,2.828,-0.312,0.249).
atm(m23,a13,o,o2,6.001,4.013,-0.144,-0.325).
atm(m23,a14,n,nam,6.929,2.050,-0.655,-0.034).
atm(m23,a15,c,c2,6.977,0.654,-0.365,0.229).
atm(m23,a16,o,o2,8.029,0.037,-0.426,-0.359).
atm(m23,a17,h,h,5.787,-1.001,0.004,0.122).
atm(m23,a18,h,h,4.341,2.465,1.929,0.060).
atm(m23,a19,h,h,3.635,3.782,0.958,0.084).
atm(m23,a20,h,h,1.759,2.720,1.992,0.048).
atm(m23,a21,h,h,1.741,2.115,0.318,0.058).
atm(m23,a22,h,h,2.326,1.084,1.636,0.055).
atm(m23,a23,h,h,3.998,2.100,-2.384,0.063).
atm(m23,a24,h,h,2.554,2.075,-1.340,0.088).
atm(m23,a25,h,h,3.210,4.514,-0.656,0.071).
atm(m23,a26,h,h,4.297,4.511,-2.055,0.069).
atm(m23,a27,h,h,1.304,3.794,-2.243,0.062).
atm(m23,a28,h,h,3.379,4.555,-4.399,0.043).
atm(m23,a29,h,h,2.704,2.940,-4.131,0.039).
atm(m23,a30,h,h,1.657,4.257,-4.679,0.043).
atm(m23,a31,h,h,1.588,6.141,-1.450,0.040).
atm(m23,a32,h,h,2.717,6.487,-2.769,0.043).
atm(m23,a33,h,h,1.021,6.124,-3.127,0.041).
atm(m23,a34,h,h,7.812,2.520,-0.698,0.122).
bond(m23,a1,a2,1).
bond(m23,a1,a15,1).
bond(m23,a1,a17,1).
bond(m23,a2,a3,2).
bond(m23,a2,a4,1).
bond(m23,a4,a5,1).
bond(m23,a4,a7,1).
bond(m23,a4,a12,1).
bond(m23,a5,a6,1).
bond(m23,a5,a18,1).
bond(m23,a5,a19,1).
bond(m23,a6,a20,1).
bond(m23,a6,a21,1).
bond(m23,a6,a22,1).
bond(m23,a7,a8,1).
bond(m23,a7,a23,1).
bond(m23,a7,a24,1).
bond(m23,a8,a9,1).
bond(m23,a8,a25,1).
bond(m23,a8,a26,1).
bond(m23,a9,a10,1).
bond(m23,a9,a11,1).
bond(m23,a9,a27,1).
bond(m23,a10,a28,1).
bond(m23,a10,a29,1).
bond(m23,a10,a30,1).
bond(m23,a11,a31,1).
bond(m23,a11,a32,1).
bond(m23,a11,a33,1).
bond(m23,a12,a13,2).
bond(m23,a12,a14,1).
bond(m23,a14,a15,1).
bond(m23,a14,a34,1).
bond(m23,a15,a16,2).
atm(m240,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m240,a2,c,c3,1.309,0.755,0.044,-0.098).
atm(m240,a3,c,c3,2.415,-0.085,0.665,-0.103).
atm(m240,a4,c,c3,3.730,0.676,0.709,-0.101).
atm(m240,a5,c,c3,4.834,-0.166,1.330,-0.104).
atm(m240,a6,c,c3,6.146,0.608,1.373,-0.103).
atm(m240,a7,n,n3,7.237,-0.233,1.912,-0.036).
atm(m240,a8,h,h,0.083,-0.920,-0.593,0.038).
atm(m240,a9,h,h,-0.335,-0.290,1.005,0.038).
atm(m240,a10,h,h,-0.796,0.609,-0.448,0.037).
atm(m240,a11,h,h,1.602,1.066,-0.978,0.049).
atm(m240,a12,h,h,1.185,1.696,0.616,0.048).
atm(m240,a13,h,h,2.122,-0.397,1.688,0.051).
atm(m240,a14,h,h,2.540,-1.026,0.092,0.053).
atm(m240,a15,h,h,4.022,0.987,-0.315,0.052).
atm(m240,a16,h,h,3.603,1.617,1.280,0.049).
atm(m240,a17,h,h,4.535,-0.481,2.351,0.049).
atm(m240,a18,h,h,4.959,-1.106,0.755,0.064).
atm(m240,a19,h,h,6.443,0.915,0.350,0.055).
atm(m240,a20,h,h,6.006,1.551,1.947,0.026).
atm(m240,a21,h,h,8.071,0.312,1.977,0.024).
atm(m240,a22,h,h,6.992,-0.563,2.822,0.022).
bond(m240,a1,a2,1).
bond(m240,a1,a8,1).
bond(m240,a1,a9,1).
bond(m240,a1,a10,1).
bond(m240,a2,a3,1).
bond(m240,a2,a11,1).
bond(m240,a2,a12,1).
bond(m240,a3,a4,1).
bond(m240,a3,a13,1).
bond(m240,a3,a14,1).
bond(m240,a4,a5,1).
bond(m240,a4,a15,1).
bond(m240,a4,a16,1).
bond(m240,a5,a6,1).
bond(m240,a5,a17,1).
bond(m240,a5,a18,1).
bond(m240,a6,a7,1).
bond(m240,a6,a19,1).
bond(m240,a6,a20,1).
bond(m240,a7,a21,1).
bond(m240,a7,a22,1).
atm(m241,a1,c,c3,0.000,0.000,0.000,-0.111).
atm(m241,a2,c,c3,1.315,0.758,0.000,-0.097).
atm(m241,a3,c,c3,2.515,-0.176,0.001,-0.102).
atm(m241,a4,c,c3,3.822,0.600,0.001,-0.099).
atm(m241,a5,c,c3,5.018,-0.337,0.002,-0.118).
atm(m241,a6,c,c3,6.322,0.458,0.002,0.075).
atm(m241,a7,o,o3,7.385,-0.467,0.004,-0.311).
atm(m241,a8,h,h,0.143,-1.089,0.000,0.042).
atm(m241,a9,h,h,-0.608,0.240,0.882,0.036).
atm(m241,a10,h,h,-0.608,0.241,-0.882,0.036).
atm(m241,a11,h,h,1.370,1.429,-0.880,0.047).
atm(m241,a12,h,h,1.369,1.430,0.880,0.047).
atm(m241,a13,h,h,2.473,-0.846,0.884,0.052).
atm(m241,a14,h,h,2.474,-0.847,-0.881,0.052).
atm(m241,a15,h,h,3.864,1.269,-0.882,0.049).
atm(m241,a16,h,h,3.863,1.270,0.884,0.049).
atm(m241,a17,h,h,4.978,-1.007,0.885,0.063).
atm(m241,a18,h,h,4.979,-1.008,-0.879,0.062).
atm(m241,a19,h,h,6.384,1.112,-0.890,0.020).
atm(m241,a20,h,h,6.383,1.114,0.893,0.020).
atm(m241,a21,h,h,8.184,0.041,0.003,0.184).
bond(m241,a1,a2,1).
bond(m241,a1,a8,1).
bond(m241,a1,a9,1).
bond(m241,a1,a10,1).
bond(m241,a2,a3,1).
bond(m241,a2,a11,1).
bond(m241,a2,a12,1).
bond(m241,a3,a4,1).
bond(m241,a3,a13,1).
bond(m241,a3,a14,1).
bond(m241,a4,a5,1).
bond(m241,a4,a15,1).
bond(m241,a4,a16,1).
bond(m241,a5,a6,1).
bond(m241,a5,a17,1).
bond(m241,a5,a18,1).
bond(m241,a6,a7,1).
bond(m241,a6,a19,1).
bond(m241,a6,a20,1).
bond(m241,a7,a21,1).
atm(m242,a1,o,o3,0.000,0.000,0.000,-0.307).
atm(m242,a2,c,c3,1.170,0.773,-0.006,0.064).
atm(m242,a3,c,c3,2.331,0.057,-0.711,-0.132).
atm(m242,a4,n,n3,3.532,0.927,-0.723,-0.059).
atm(m242,a5,c,c3,4.675,0.313,-1.443,-0.106).
atm(m242,a6,c,c3,5.882,1.256,-1.400,0.074).
atm(m242,a7,o,o3,6.919,0.627,-2.117,-0.312).
atm(m242,a8,h,h,0.186,-0.794,0.486,0.183).
atm(m242,a9,h,h,0.855,1.685,-0.545,0.054).
atm(m242,a10,h,h,1.445,1.067,1.025,0.038).
atm(m242,a11,h,h,2.599,-0.873,-0.170,0.056).
atm(m242,a12,h,h,2.028,-0.260,-1.733,0.046).
atm(m242,a13,h,h,3.304,1.807,-1.138,0.046).
atm(m242,a14,h,h,4.916,-0.645,-0.940,0.066).
atm(m242,a15,h,h,4.421,0.053,-2.494,0.046).
atm(m242,a16,h,h,5.648,2.234,-1.868,0.021).
atm(m242,a17,h,h,6.196,1.457,-0.357,0.033).
atm(m242,a18,h,h,7.695,1.155,-1.986,0.188).
bond(m242,a1,a2,1).
bond(m242,a1,a8,1).
bond(m242,a2,a3,1).
bond(m242,a2,a9,1).
bond(m242,a2,a10,1).
bond(m242,a3,a4,1).
bond(m242,a3,a11,1).
bond(m242,a3,a12,1).
bond(m242,a4,a5,1).
bond(m242,a4,a13,1).
bond(m242,a5,a6,1).
bond(m242,a5,a14,1).
bond(m242,a5,a15,1).
bond(m242,a6,a7,1).
bond(m242,a6,a16,1).
bond(m242,a6,a17,1).
bond(m242,a7,a18,1).
atm(m243,a1,o,o3,0.000,0.000,0.000,-0.314).
atm(m243,a2,c,c3,1.192,0.746,0.000,0.055).
atm(m243,a3,c,c3,2.470,-0.107,-0.001,0.028).
atm(m243,a4,o,o3,3.557,0.802,-0.002,-0.261).
atm(m243,a5,c,c3,4.821,0.154,-0.002,0.048).
atm(m243,a6,c,c3,5.872,1.274,-0.003,0.064).
atm(m243,a7,o,o3,7.131,0.641,-0.002,-0.312).
atm(m243,a8,h,h,0.218,-0.923,0.001,0.188).
atm(m243,a9,h,h,1.138,1.397,-0.891,0.050).
atm(m243,a10,h,h,1.139,1.396,0.892,0.050).
atm(m243,a11,h,h,2.519,-0.763,0.891,0.033).
atm(m243,a12,h,h,2.518,-0.763,-0.894,0.033).
atm(m243,a13,h,h,4.921,-0.494,0.891,0.041).
atm(m243,a14,h,h,4.920,-0.495,-0.894,0.041).
atm(m243,a15,h,h,5.765,1.921,-0.896,0.033).
atm(m243,a16,h,h,5.765,1.922,0.889,0.033).
atm(m243,a17,h,h,7.778,1.334,-0.004,0.190).
bond(m243,a1,a2,1).
bond(m243,a1,a8,1).
bond(m243,a2,a3,1).
bond(m243,a2,a9,1).
bond(m243,a2,a10,1).
bond(m243,a3,a4,1).
bond(m243,a3,a11,1).
bond(m243,a3,a12,1).
bond(m243,a4,a5,1).
bond(m243,a5,a6,1).
bond(m243,a5,a13,1).
bond(m243,a5,a14,1).
bond(m243,a6,a7,1).
bond(m243,a6,a15,1).
bond(m243,a6,a16,1).
bond(m243,a7,a17,1).
atm(m244,a1,c,c3,0.000,0.000,0.000,-0.111).
atm(m244,a2,c,c3,1.308,0.756,-0.074,-0.087).
atm(m244,a3,c,c3,2.311,0.207,0.923,-0.169).
atm(m244,a4,s,s3,3.872,1.145,0.796,-0.049).
atm(m244,a5,c,c3,4.874,0.324,2.082,-0.169).
atm(m244,a6,c,c3,6.230,0.997,2.173,-0.087).
atm(m244,a7,c,c3,7.093,0.339,3.227,-0.111).
atm(m244,a8,h,h,0.134,-1.067,-0.223,0.039).
atm(m244,a9,h,h,-0.455,0.070,0.997,0.039).
atm(m244,a10,h,h,-0.726,0.397,-0.720,0.043).
atm(m244,a11,h,h,1.723,0.697,-1.100,0.065).
atm(m244,a12,h,h,1.135,1.834,0.119,0.065).
atm(m244,a13,h,h,1.909,0.270,1.952,0.070).
atm(m244,a14,h,h,2.495,-0.868,0.735,0.070).
atm(m244,a15,h,h,4.354,0.367,3.057,0.070).
atm(m244,a16,h,h,4.990,-0.751,1.848,0.071).
atm(m244,a17,h,h,6.739,0.958,1.189,0.065).
atm(m244,a18,h,h,6.104,2.074,2.403,0.065).
atm(m244,a19,h,h,8.074,0.826,3.294,0.043).
atm(m244,a20,h,h,6.631,0.394,4.222,0.039).
atm(m244,a21,h,h,7.267,-0.722,3.006,0.039).
bond(m244,a1,a2,1).
bond(m244,a1,a8,1).
bond(m244,a1,a9,1).
bond(m244,a1,a10,1).
bond(m244,a2,a3,1).
bond(m244,a2,a11,1).
bond(m244,a2,a12,1).
bond(m244,a3,a4,1).
bond(m244,a3,a13,1).
bond(m244,a3,a14,1).
bond(m244,a4,a5,1).
bond(m244,a5,a6,1).
bond(m244,a5,a15,1).
bond(m244,a5,a16,1).
bond(m244,a6,a7,1).
bond(m244,a6,a17,1).
bond(m244,a6,a18,1).
bond(m244,a7,a19,1).
bond(m244,a7,a20,1).
bond(m244,a7,a21,1).
atm(m245,a1,c,c3,8.493,0.696,0.000,-0.109).
atm(m245,a2,c,c3,7.183,-0.059,0.002,-0.098).
atm(m245,a3,c,c3,5.995,0.889,0.001,-0.103).
atm(m245,a4,c,c3,4.679,0.128,0.003,-0.102).
atm(m245,a5,c,c3,3.492,1.078,0.002,-0.097).
atm(m245,a6,c,c3,2.176,0.319,0.005,-0.131).
atm(m245,a7,c,c3,0.991,1.282,0.007,-0.112).
atm(m245,a8,n,n3,-0.330,0.628,0.008,-0.034).
atm(m245,a9,h,h,9.349,0.009,0.000,0.037).
atm(m245,a10,h,h,8.589,1.340,-0.885,0.038).
atm(m245,a11,h,h,8.590,1.342,0.883,0.038).
atm(m245,a12,h,h,7.131,-0.729,-0.879,0.048).
atm(m245,a13,h,h,7.132,-0.726,0.885,0.048).
atm(m245,a14,h,h,6.046,1.560,0.882,0.051).
atm(m245,a15,h,h,6.045,1.557,-0.883,0.051).
atm(m245,a16,h,h,4.628,-0.543,-0.878,0.051).
atm(m245,a17,h,h,4.629,-0.539,0.887,0.051).
atm(m245,a18,h,h,3.543,1.749,0.883,0.053).
atm(m245,a19,h,h,3.542,1.745,-0.883,0.053).
atm(m245,a20,h,h,2.127,-0.352,-0.878,0.051).
atm(m245,a21,h,h,2.131,-0.351,0.888,0.051).
atm(m245,a22,h,h,1.036,1.946,0.893,0.060).
atm(m245,a23,h,h,1.034,1.946,-0.880,0.060).
atm(m245,a24,h,h,-0.424,0.054,-0.804,0.023).
atm(m245,a25,h,h,-0.422,0.052,0.820,0.023).
bond(m245,a1,a2,1).
bond(m245,a1,a9,1).
bond(m245,a1,a10,1).
bond(m245,a1,a11,1).
bond(m245,a2,a3,1).
bond(m245,a2,a12,1).
bond(m245,a2,a13,1).
bond(m245,a3,a4,1).
bond(m245,a3,a14,1).
bond(m245,a3,a15,1).
bond(m245,a4,a5,1).
bond(m245,a4,a16,1).
bond(m245,a4,a17,1).
bond(m245,a5,a6,1).
bond(m245,a5,a18,1).
bond(m245,a5,a19,1).
bond(m245,a6,a7,1).
bond(m245,a6,a20,1).
bond(m245,a6,a21,1).
bond(m245,a7,a8,1).
bond(m245,a7,a22,1).
bond(m245,a7,a23,1).
bond(m245,a8,a24,1).
bond(m245,a8,a25,1).
atm(m246,a1,n,n1,0.000,0.000,0.000,-0.059).
atm(m246,a2,c,c1,1.000,0.587,0.000,-0.161).
atm(m246,a3,c,c3,2.247,1.323,0.000,0.054).
atm(m246,a4,c,c3,3.442,0.377,-0.001,-0.105).
atm(m246,a5,c,c3,4.744,1.163,0.000,-0.105).
atm(m246,a6,c,c3,5.939,0.218,-0.001,0.054).
atm(m246,a7,c,c1,7.186,0.954,-0.001,-0.161).
atm(m246,a8,n,n1,8.186,1.540,-0.001,-0.059).
atm(m246,a9,h,h,2.265,1.987,-0.888,0.072).
atm(m246,a10,h,h,2.265,1.986,0.889,0.072).
atm(m246,a11,h,h,3.400,-0.291,0.882,0.064).
atm(m246,a12,h,h,3.400,-0.290,-0.884,0.064).
atm(m246,a13,h,h,4.785,1.832,-0.883,0.064).
atm(m246,a14,h,h,4.785,1.831,0.884,0.064).
atm(m246,a15,h,h,5.920,-0.447,0.887,0.072).
atm(m246,a16,h,h,5.920,-0.446,-0.890,0.072).
bond(m246,a1,a2,3).
bond(m246,a2,a3,1).
bond(m246,a3,a4,1).
bond(m246,a3,a9,1).
bond(m246,a3,a10,1).
bond(m246,a4,a5,1).
bond(m246,a4,a11,1).
bond(m246,a4,a12,1).
bond(m246,a5,a6,1).
bond(m246,a5,a13,1).
bond(m246,a5,a14,1).
bond(m246,a6,a7,1).
bond(m246,a6,a15,1).
bond(m246,a6,a16,1).
bond(m246,a7,a8,3).
atm(m247,a1,c,c3,8.493,0.696,0.000,-0.109).
atm(m247,a2,c,c3,7.183,-0.059,0.000,-0.097).
atm(m247,a3,c,c3,5.995,0.889,0.002,-0.103).
atm(m247,a4,c,c3,4.679,0.128,0.002,-0.102).
atm(m247,a5,c,c3,3.492,1.078,0.005,-0.096).
atm(m247,a6,c,c3,2.177,0.319,0.005,-0.140).
atm(m247,a7,c,c3,0.996,1.288,0.008,0.065).
atm(m247,a8,o,o3,-0.274,0.683,0.007,-0.320).
atm(m247,a9,h,h,9.349,0.009,-0.003,0.038).
atm(m247,a10,h,h,8.588,1.343,-0.883,0.038).
atm(m247,a11,h,h,8.591,1.339,0.886,0.038).
atm(m247,a12,h,h,7.131,-0.726,-0.884,0.048).
atm(m247,a13,h,h,7.133,-0.729,0.881,0.049).
atm(m247,a14,h,h,6.047,1.557,0.886,0.052).
atm(m247,a15,h,h,6.045,1.560,-0.879,0.052).
atm(m247,a16,h,h,4.628,-0.539,-0.882,0.051).
atm(m247,a17,h,h,4.629,-0.543,0.884,0.051).
atm(m247,a18,h,h,3.543,1.745,0.890,0.054).
atm(m247,a19,h,h,3.541,1.749,-0.876,0.054).
atm(m247,a20,h,h,2.125,-0.348,-0.880,0.055).
atm(m247,a21,h,h,2.127,-0.352,0.887,0.055).
atm(m247,a22,h,h,1.015,1.940,0.901,0.040).
atm(m247,a23,h,h,1.013,1.944,-0.882,0.040).
atm(m247,a24,h,h,-0.159,-0.259,0.008,0.189).
bond(m247,a1,a2,1).
bond(m247,a1,a9,1).
bond(m247,a1,a10,1).
bond(m247,a1,a11,1).
bond(m247,a2,a3,1).
bond(m247,a2,a12,1).
bond(m247,a2,a13,1).
bond(m247,a3,a4,1).
bond(m247,a3,a14,1).
bond(m247,a3,a15,1).
bond(m247,a4,a5,1).
bond(m247,a4,a16,1).
bond(m247,a4,a17,1).
bond(m247,a5,a6,1).
bond(m247,a5,a18,1).
bond(m247,a5,a19,1).
bond(m247,a6,a7,1).
bond(m247,a6,a20,1).
bond(m247,a6,a21,1).
bond(m247,a7,a8,1).
bond(m247,a7,a22,1).
bond(m247,a7,a23,1).
bond(m247,a8,a24,1).
atm(m248,a1,br,br,0.000,0.000,0.000,-0.139).
atm(m248,a2,c,c3,1.695,0.975,0.003,-0.032).
atm(m248,a3,c,c3,2.739,-0.100,-0.005,-0.130).
atm(m248,a4,c,c3,4.140,0.491,-0.003,-0.097).
atm(m248,a5,c,c3,5.196,-0.602,-0.013,-0.102).
atm(m248,a6,c,c3,6.598,-0.014,-0.009,-0.102).
atm(m248,a7,c,c3,7.654,-1.107,-0.021,-0.103).
atm(m248,a8,c,c3,9.057,-0.521,-0.017,-0.098).
atm(m248,a9,c,c3,10.110,-1.607,-0.028,-0.109).
atm(m248,a10,h,h,1.710,1.622,-0.888,0.069).
atm(m248,a11,h,h,1.714,1.610,0.903,0.069).
atm(m248,a12,h,h,2.596,-0.762,0.872,0.072).
atm(m248,a13,h,h,2.594,-0.750,-0.892,0.072).
atm(m248,a14,h,h,4.272,1.155,-0.881,0.052).
atm(m248,a15,h,h,4.274,1.140,0.886,0.052).
atm(m248,a16,h,h,5.061,-1.267,0.864,0.054).
atm(m248,a17,h,h,5.060,-1.252,-0.901,0.054).
atm(m248,a18,h,h,6.732,0.651,-0.886,0.051).
atm(m248,a19,h,h,6.734,0.635,0.879,0.051).
atm(m248,a20,h,h,7.521,-1.773,0.856,0.052).
atm(m248,a21,h,h,7.519,-1.756,-0.909,0.052).
atm(m248,a22,h,h,9.191,0.144,-0.893,0.048).
atm(m248,a23,h,h,9.192,0.127,0.871,0.048).
atm(m248,a24,h,h,11.121,-1.181,-0.025,0.038).
atm(m248,a25,h,h,10.027,-2.261,0.850,0.038).
atm(m248,a26,h,h,10.024,-2.245,-0.918,0.038).
bond(m248,a1,a2,1).
bond(m248,a2,a3,1).
bond(m248,a2,a10,1).
bond(m248,a2,a11,1).
bond(m248,a3,a4,1).
bond(m248,a3,a12,1).
bond(m248,a3,a13,1).
bond(m248,a4,a5,1).
bond(m248,a4,a14,1).
bond(m248,a4,a15,1).
bond(m248,a5,a6,1).
bond(m248,a5,a16,1).
bond(m248,a5,a17,1).
bond(m248,a6,a7,1).
bond(m248,a6,a18,1).
bond(m248,a6,a19,1).
bond(m248,a7,a8,1).
bond(m248,a7,a20,1).
bond(m248,a7,a21,1).
bond(m248,a8,a9,1).
bond(m248,a8,a22,1).
bond(m248,a8,a23,1).
bond(m248,a9,a24,1).
bond(m248,a9,a25,1).
bond(m248,a9,a26,1).
atm(m249,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m249,a2,c,c3,1.294,0.761,-0.182,-0.098).
atm(m249,a3,c,c3,2.343,0.324,0.828,-0.103).
atm(m249,a4,c,c3,3.643,1.089,0.643,-0.102).
atm(m249,a5,c,c3,4.691,0.651,1.653,-0.102).
atm(m249,a6,c,c3,5.991,1.418,1.470,-0.101).
atm(m249,a7,c,c3,7.039,0.977,2.480,-0.104).
atm(m249,a8,c,c3,8.336,1.754,2.287,-0.103).
atm(m249,a9,n,n3,9.379,1.280,3.223,-0.036).
atm(m249,a10,h,h,0.145,-1.081,-0.126,0.038).
atm(m249,a11,h,h,-0.425,0.157,1.000,0.038).
atm(m249,a12,h,h,-0.755,0.317,-0.730,0.037).
atm(m249,a13,h,h,1.678,0.614,-1.211,0.048).
atm(m249,a14,h,h,1.110,1.849,-0.086,0.048).
atm(m249,a15,h,h,1.960,0.470,1.858,0.051).
atm(m249,a16,h,h,2.528,-0.766,0.732,0.051).
atm(m249,a17,h,h,4.026,0.943,-0.387,0.051).
atm(m249,a18,h,h,3.458,2.178,0.739,0.050).
atm(m249,a19,h,h,4.308,0.796,2.684,0.051).
atm(m249,a20,h,h,4.878,-0.438,1.557,0.053).
atm(m249,a21,h,h,6.373,1.271,0.439,0.052).
atm(m249,a22,h,h,5.804,2.506,1.565,0.049).
atm(m249,a23,h,h,6.650,1.121,3.509,0.049).
atm(m249,a24,h,h,7.223,-0.112,2.382,0.064).
atm(m249,a25,h,h,8.724,1.601,1.260,0.055).
atm(m249,a26,h,h,8.138,2.845,2.381,0.026).
atm(m249,a27,h,h,10.199,1.838,3.112,0.024).
atm(m249,a28,h,h,9.053,1.364,4.164,0.022).
bond(m249,a1,a2,1).
bond(m249,a1,a10,1).
bond(m249,a1,a11,1).
bond(m249,a1,a12,1).
bond(m249,a2,a3,1).
bond(m249,a2,a13,1).
bond(m249,a2,a14,1).
bond(m249,a3,a4,1).
bond(m249,a3,a15,1).
bond(m249,a3,a16,1).
bond(m249,a4,a5,1).
bond(m249,a4,a17,1).
bond(m249,a4,a18,1).
bond(m249,a5,a6,1).
bond(m249,a5,a19,1).
bond(m249,a5,a20,1).
bond(m249,a6,a7,1).
bond(m249,a6,a21,1).
bond(m249,a6,a22,1).
bond(m249,a7,a8,1).
bond(m249,a7,a23,1).
bond(m249,a7,a24,1).
bond(m249,a8,a9,1).
bond(m249,a8,a25,1).
bond(m249,a8,a26,1).
bond(m249,a9,a27,1).
bond(m249,a9,a28,1).
atm(m24,a1,c,c3,1.400,4.847,0.000,-0.073).
atm(m24,a2,n,nam,2.135,3.569,0.000,0.127).
atm(m24,a3,c,c2,1.432,2.321,0.001,0.232).
atm(m24,a4,o,o2,0.207,2.323,0.000,-0.387).
atm(m24,a5,n,nam,2.152,1.071,0.001,-0.027).
atm(m24,a6,c,c3,1.339,-0.168,0.001,-0.066).
atm(m24,a7,c,c2,3.591,1.002,0.002,0.375).
atm(m24,a8,o,o2,4.152,-0.084,0.002,-0.381).
atm(m24,a9,c,car,4.240,2.301,0.002,-0.422).
atm(m24,a10,c,car,3.539,3.514,0.001,-0.047).
atm(m24,a11,n,nar,4.442,4.574,0.001,-0.142).
atm(m24,a12,c,car,5.692,4.042,0.002,-0.196).
atm(m24,a13,n,npl3,5.607,2.657,0.002,0.370).
atm(m24,a14,c,c3,6.736,1.730,0.003,-0.122).
atm(m24,a15,h,h,2.095,5.697,0.002,0.078).
atm(m24,a16,h,h,0.760,4.918,-0.891,0.055).
atm(m24,a17,h,h,0.757,4.917,0.889,0.055).
atm(m24,a18,h,h,1.974,-1.063,0.002,0.075).
atm(m24,a19,h,h,0.696,-0.199,0.892,0.054).
atm(m24,a20,h,h,0.696,-0.199,-0.890,0.054).
atm(m24,a21,h,h,6.611,4.637,0.002,0.167).
atm(m24,a22,h,h,7.684,2.284,0.003,0.063).
atm(m24,a23,h,h,6.706,1.082,0.891,0.077).
atm(m24,a24,h,h,6.707,1.082,-0.885,0.077).
bond(m24,a1,a2,1).
bond(m24,a1,a15,1).
bond(m24,a1,a16,1).
bond(m24,a1,a17,1).
bond(m24,a2,a3,1).
bond(m24,a2,a10,1).
bond(m24,a3,a4,2).
bond(m24,a3,a5,1).
bond(m24,a5,a6,1).
bond(m24,a5,a7,1).
bond(m24,a6,a18,1).
bond(m24,a6,a19,1).
bond(m24,a6,a20,1).
bond(m24,a7,a8,2).
bond(m24,a7,a9,1).
bond(m24,a9,a10,ar).
bond(m24,a9,a13,ar).
bond(m24,a10,a11,ar).
bond(m24,a11,a12,ar).
bond(m24,a12,a13,ar).
bond(m24,a12,a21,1).
bond(m24,a13,a14,1).
bond(m24,a14,a22,1).
bond(m24,a14,a23,1).
bond(m24,a14,a24,1).
atm(m250,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m250,a2,c,c3,1.353,0.548,-0.395,-0.098).
atm(m250,a3,c,c3,2.468,-0.072,0.432,-0.103).
atm(m250,a4,c,c3,3.827,0.480,0.033,-0.102).
atm(m250,a5,c,c3,4.940,-0.142,0.860,-0.102).
atm(m250,a6,c,c3,6.299,0.411,0.463,-0.098).
atm(m250,a7,c,c3,7.411,-0.213,1.290,-0.118).
atm(m250,a8,c,c3,8.768,0.353,0.878,0.075).
atm(m250,a9,o,o3,9.748,-0.264,1.682,-0.311).
atm(m250,a10,h,h,-0.054,-1.087,-0.144,0.038).
atm(m250,a11,h,h,-0.226,0.200,1.056,0.038).
atm(m250,a12,h,h,-0.803,0.450,-0.598,0.037).
atm(m250,a13,h,h,1.536,0.365,-1.472,0.048).
atm(m250,a14,h,h,1.364,1.650,-0.276,0.048).
atm(m250,a15,h,h,2.285,0.112,1.510,0.051).
atm(m250,a16,h,h,2.457,-1.174,0.313,0.051).
atm(m250,a17,h,h,4.008,0.297,-1.045,0.050).
atm(m250,a18,h,h,3.837,1.582,0.153,0.050).
atm(m250,a19,h,h,4.758,0.040,1.939,0.052).
atm(m250,a20,h,h,4.930,-1.245,0.740,0.052).
atm(m250,a21,h,h,6.481,0.228,-0.616,0.050).
atm(m250,a22,h,h,6.308,1.513,0.583,0.050).
atm(m250,a23,h,h,7.231,-0.031,2.369,0.063).
atm(m250,a24,h,h,7.403,-1.315,1.172,0.063).
atm(m250,a25,h,h,8.969,0.153,-0.193,0.020).
atm(m250,a26,h,h,8.795,1.452,1.017,0.021).
atm(m250,a27,h,h,10.582,0.094,1.411,0.184).
bond(m250,a1,a2,1).
bond(m250,a1,a10,1).
bond(m250,a1,a11,1).
bond(m250,a1,a12,1).
bond(m250,a2,a3,1).
bond(m250,a2,a13,1).
bond(m250,a2,a14,1).
bond(m250,a3,a4,1).
bond(m250,a3,a15,1).
bond(m250,a3,a16,1).
bond(m250,a4,a5,1).
bond(m250,a4,a17,1).
bond(m250,a4,a18,1).
bond(m250,a5,a6,1).
bond(m250,a5,a19,1).
bond(m250,a5,a20,1).
bond(m250,a6,a7,1).
bond(m250,a6,a21,1).
bond(m250,a6,a22,1).
bond(m250,a7,a8,1).
bond(m250,a7,a23,1).
bond(m250,a7,a24,1).
bond(m250,a8,a9,1).
bond(m250,a8,a25,1).
bond(m250,a8,a26,1).
bond(m250,a9,a27,1).
atm(m251,a1,c,c3,0.000,0.000,0.000,-0.120).
atm(m251,a2,c,c3,1.284,0.786,-0.184,0.068).
atm(m251,a3,o,o3,2.213,0.296,0.773,-0.270).
atm(m251,a4,c,c3,3.470,0.954,0.714,0.051).
atm(m251,a5,c,c3,4.339,0.304,1.800,0.054).
atm(m251,a6,o,o3,5.594,0.965,1.742,-0.272).
atm(m251,a7,c,c3,6.523,0.468,2.695,0.050).
atm(m251,a8,c,c3,7.809,1.284,2.500,0.064).
atm(m251,a9,o,o3,8.740,0.797,3.441,-0.312).
atm(m251,a10,h,h,0.151,-1.076,-0.156,0.049).
atm(m251,a11,h,h,-0.419,0.127,1.007,0.049).
atm(m251,a12,h,h,-0.757,0.337,-0.719,0.042).
atm(m251,a13,h,h,1.691,0.658,-1.206,0.027).
atm(m251,a14,h,h,1.117,1.870,-0.030,0.027).
atm(m251,a15,h,h,3.920,0.834,-0.291,0.038).
atm(m251,a16,h,h,3.343,2.040,0.892,0.038).
atm(m251,a17,h,h,3.889,0.423,2.805,0.041).
atm(m251,a18,h,h,4.468,-0.782,1.620,0.041).
atm(m251,a19,h,h,6.121,0.585,3.721,0.041).
atm(m251,a20,h,h,6.700,-0.613,2.531,0.041).
atm(m251,a21,h,h,8.205,1.167,1.472,0.032).
atm(m251,a22,h,h,7.625,2.364,2.663,0.031).
atm(m251,a23,h,h,9.530,1.306,3.323,0.189).
bond(m251,a1,a2,1).
bond(m251,a1,a10,1).
bond(m251,a1,a11,1).
bond(m251,a1,a12,1).
bond(m251,a2,a3,1).
bond(m251,a2,a13,1).
bond(m251,a2,a14,1).
bond(m251,a3,a4,1).
bond(m251,a4,a5,1).
bond(m251,a4,a15,1).
bond(m251,a4,a16,1).
bond(m251,a5,a6,1).
bond(m251,a5,a17,1).
bond(m251,a5,a18,1).
bond(m251,a6,a7,1).
bond(m251,a7,a8,1).
bond(m251,a7,a19,1).
bond(m251,a7,a20,1).
bond(m251,a8,a9,1).
bond(m251,a8,a21,1).
bond(m251,a8,a22,1).
bond(m251,a9,a23,1).
atm(m252,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m252,a2,c,c3,1.238,0.866,0.052,-0.097).
atm(m252,a3,c,c3,2.483,0.081,-0.332,-0.103).
atm(m252,a4,c,c3,3.726,0.953,-0.282,-0.102).
atm(m252,a5,c,c3,4.968,0.166,-0.667,-0.100).
atm(m252,a6,c,c3,6.212,1.038,-0.614,-0.109).
atm(m252,a7,c,c3,7.450,0.251,-1.015,-0.097).
atm(m252,a8,c,c3,8.733,1.056,-0.872,-0.130).
atm(m252,a9,c,c2,8.874,2.096,-1.965,0.352).
atm(m252,a10,o,o2,9.422,1.968,-3.039,-0.336).
atm(m252,a11,o,o3,8.386,3.351,-1.826,-0.272).
atm(m252,a12,h,h,0.073,-0.853,0.688,0.038).
atm(m252,a13,h,h,-0.896,0.569,0.278,0.038).
atm(m252,a14,h,h,-0.168,-0.406,-1.006,0.039).
atm(m252,a15,h,h,1.120,1.737,-0.623,0.049).
atm(m252,a16,h,h,1.360,1.292,1.068,0.048).
atm(m252,a17,h,h,2.603,-0.790,0.343,0.051).
atm(m252,a18,h,h,2.360,-0.347,-1.348,0.053).
atm(m252,a19,h,h,3.604,1.824,-0.958,0.053).
atm(m252,a20,h,h,3.848,1.381,0.733,0.050).
atm(m252,a21,h,h,5.087,-0.706,0.007,0.053).
atm(m252,a22,h,h,4.848,-0.259,-1.684,0.056).
atm(m252,a23,h,h,6.082,1.915,-1.281,0.053).
atm(m252,a24,h,h,6.339,1.454,0.406,0.049).
atm(m252,a25,h,h,7.529,-0.658,-0.385,0.059).
atm(m252,a26,h,h,7.347,-0.118,-2.056,0.070).
atm(m252,a27,h,h,8.784,1.536,0.127,0.065).
atm(m252,a28,h,h,9.605,0.374,-0.923,0.084).
atm(m252,a29,h,h,7.917,3.437,-1.005,0.196).
bond(m252,a1,a2,1).
bond(m252,a1,a12,1).
bond(m252,a1,a13,1).
bond(m252,a1,a14,1).
bond(m252,a2,a3,1).
bond(m252,a2,a15,1).
bond(m252,a2,a16,1).
bond(m252,a3,a4,1).
bond(m252,a3,a17,1).
bond(m252,a3,a18,1).
bond(m252,a4,a5,1).
bond(m252,a4,a19,1).
bond(m252,a4,a20,1).
bond(m252,a5,a6,1).
bond(m252,a5,a21,1).
bond(m252,a5,a22,1).
bond(m252,a6,a7,1).
bond(m252,a6,a23,1).
bond(m252,a6,a24,1).
bond(m252,a7,a8,1).
bond(m252,a7,a25,1).
bond(m252,a7,a26,1).
bond(m252,a8,a9,1).
bond(m252,a8,a27,1).
bond(m252,a8,a28,1).
bond(m252,a9,a10,2).
bond(m252,a9,a11,1).
bond(m252,a11,a29,1).
atm(m253,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m253,a2,c,c3,1.306,0.732,-0.214,-0.098).
atm(m253,a3,c,c3,2.357,0.301,0.796,-0.103).
atm(m253,a4,c,c3,3.668,1.039,0.580,-0.102).
atm(m253,a5,c,c3,4.720,0.605,1.589,-0.102).
atm(m253,a6,c,c3,6.030,1.345,1.374,-0.102).
atm(m253,a7,c,c3,7.081,0.912,2.383,-0.101).
atm(m253,a8,c,c3,8.390,1.655,2.166,-0.095).
atm(m253,a9,c,c3,9.437,1.220,3.177,-0.152).
atm(m253,a10,c,c2,10.774,1.913,3.027,0.275).
atm(m253,a11,o,o2,11.006,2.756,2.183,-0.312).
atm(m253,a12,c,c3,11.821,1.474,4.019,-0.173).
atm(m253,a13,h,h,0.123,-1.087,-0.101,0.038).
atm(m253,a14,h,h,-0.411,0.189,1.000,0.038).
atm(m253,a15,h,h,-0.757,0.313,-0.730,0.037).
atm(m253,a16,h,h,1.676,0.552,-1.243,0.049).
atm(m253,a17,h,h,1.142,1.826,-0.145,0.049).
atm(m253,a18,h,h,1.987,0.480,1.826,0.051).
atm(m253,a19,h,h,2.522,-0.793,0.726,0.051).
atm(m253,a20,h,h,4.037,0.862,-0.450,0.051).
atm(m253,a21,h,h,3.503,2.133,0.652,0.051).
atm(m253,a22,h,h,4.350,0.780,2.620,0.050).
atm(m253,a23,h,h,4.886,-0.489,1.516,0.050).
atm(m253,a24,h,h,6.400,1.170,0.344,0.053).
atm(m253,a25,h,h,5.864,2.439,1.447,0.053).
atm(m253,a26,h,h,6.711,1.087,3.414,0.049).
atm(m253,a27,h,h,7.248,-0.182,2.310,0.049).
atm(m253,a28,h,h,8.761,1.479,1.136,0.063).
atm(m253,a29,h,h,8.224,2.748,2.238,0.063).
atm(m253,a30,h,h,9.069,1.400,4.207,0.070).
atm(m253,a31,h,h,9.605,0.126,3.105,0.070).
atm(m253,a32,h,h,12.773,2.006,3.894,0.068).
atm(m253,a33,h,h,11.474,1.649,5.046,0.060).
atm(m253,a34,h,h,12.022,0.400,3.915,0.061).
bond(m253,a1,a2,1).
bond(m253,a1,a13,1).
bond(m253,a1,a14,1).
bond(m253,a1,a15,1).
bond(m253,a2,a3,1).
bond(m253,a2,a16,1).
bond(m253,a2,a17,1).
bond(m253,a3,a4,1).
bond(m253,a3,a18,1).
bond(m253,a3,a19,1).
bond(m253,a4,a5,1).
bond(m253,a4,a20,1).
bond(m253,a4,a21,1).
bond(m253,a5,a6,1).
bond(m253,a5,a22,1).
bond(m253,a5,a23,1).
bond(m253,a6,a7,1).
bond(m253,a6,a24,1).
bond(m253,a6,a25,1).
bond(m253,a7,a8,1).
bond(m253,a7,a26,1).
bond(m253,a7,a27,1).
bond(m253,a8,a9,1).
bond(m253,a8,a28,1).
bond(m253,a8,a29,1).
bond(m253,a9,a10,1).
bond(m253,a9,a30,1).
bond(m253,a9,a31,1).
bond(m253,a10,a11,2).
bond(m253,a10,a12,1).
bond(m253,a12,a32,1).
bond(m253,a12,a33,1).
bond(m253,a12,a34,1).
atm(m254,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m254,a2,c,c3,1.208,0.862,-0.292,-0.098).
atm(m254,a3,c,c3,2.452,0.330,0.402,-0.103).
atm(m254,a4,c,c3,3.665,1.197,0.106,-0.102).
atm(m254,a5,c,c3,4.907,0.665,0.802,-0.102).
atm(m254,a6,c,c3,6.121,1.531,0.504,-0.102).
atm(m254,a7,c,c3,7.363,0.999,1.201,-0.101).
atm(m254,a8,c,c3,8.576,1.867,0.903,-0.104).
atm(m254,a9,c,c3,9.815,1.323,1.605,-0.103).
atm(m254,a10,n,n3,10.982,2.203,1.372,-0.036).
atm(m254,a11,h,h,0.147,-1.033,-0.342,0.038).
atm(m254,a12,h,h,-0.218,-0.041,1.076,0.038).
atm(m254,a13,h,h,-0.896,0.387,-0.502,0.037).
atm(m254,a14,h,h,1.380,0.914,-1.385,0.048).
atm(m254,a15,h,h,1.015,1.905,0.028,0.049).
atm(m254,a16,h,h,2.280,0.278,1.496,0.051).
atm(m254,a17,h,h,2.645,-0.714,0.082,0.051).
atm(m254,a18,h,h,3.836,1.249,-0.988,0.051).
atm(m254,a19,h,h,3.470,2.241,0.426,0.051).
atm(m254,a20,h,h,4.737,0.615,1.896,0.051).
atm(m254,a21,h,h,5.101,-0.380,0.484,0.050).
atm(m254,a22,h,h,6.292,1.580,-0.590,0.051).
atm(m254,a23,h,h,5.927,2.576,0.821,0.053).
atm(m254,a24,h,h,7.192,0.951,2.295,0.052).
atm(m254,a25,h,h,7.555,-0.046,0.885,0.049).
atm(m254,a26,h,h,8.742,1.915,-0.193,0.049).
atm(m254,a27,h,h,8.380,2.911,1.220,0.064).
atm(m254,a28,h,h,9.648,1.284,2.701,0.055).
atm(m254,a29,h,h,9.997,0.273,1.286,0.026).
atm(m254,a30,h,h,11.788,1.800,1.800,0.024).
atm(m254,a31,h,h,11.145,2.295,0.391,0.022).
bond(m254,a1,a2,1).
bond(m254,a1,a11,1).
bond(m254,a1,a12,1).
bond(m254,a1,a13,1).
bond(m254,a2,a3,1).
bond(m254,a2,a14,1).
bond(m254,a2,a15,1).
bond(m254,a3,a4,1).
bond(m254,a3,a16,1).
bond(m254,a3,a17,1).
bond(m254,a4,a5,1).
bond(m254,a4,a18,1).
bond(m254,a4,a19,1).
bond(m254,a5,a6,1).
bond(m254,a5,a20,1).
bond(m254,a5,a21,1).
bond(m254,a6,a7,1).
bond(m254,a6,a22,1).
bond(m254,a6,a23,1).
bond(m254,a7,a8,1).
bond(m254,a7,a24,1).
bond(m254,a7,a25,1).
bond(m254,a8,a9,1).
bond(m254,a8,a26,1).
bond(m254,a8,a27,1).
bond(m254,a9,a10,1).
bond(m254,a9,a28,1).
bond(m254,a9,a29,1).
bond(m254,a10,a30,1).
bond(m254,a10,a31,1).
atm(m255,a1,o,o3,0.000,0.000,0.000,-0.304).
atm(m255,a2,c,c3,1.168,0.774,-0.004,0.056).
atm(m255,a3,c,c3,2.400,-0.056,-0.404,0.024).
atm(m255,a4,o,o3,3.510,0.824,-0.347,-0.265).
atm(m255,a5,c,c3,4.726,0.210,-0.748,0.052).
atm(m255,a6,c,c3,5.806,1.294,-0.625,0.054).
atm(m255,a7,o,o3,7.023,0.675,-1.014,-0.272).
atm(m255,a8,c,c3,8.133,1.560,-0.961,0.050).
atm(m255,a9,c,c3,9.352,0.740,-1.410,0.064).
atm(m255,a10,o,o3,10.461,1.609,-1.358,-0.312).
atm(m255,a11,h,h,0.100,-0.663,0.672,0.182).
atm(m255,a12,h,h,0.945,1.561,-0.746,0.065).
atm(m255,a13,h,h,1.316,1.267,0.977,0.038).
atm(m255,a14,h,h,2.555,-0.908,0.289,0.027).
atm(m255,a15,h,h,2.289,-0.478,-1.422,0.042).
atm(m255,a16,h,h,4.947,-0.660,-0.099,0.039).
atm(m255,a17,h,h,4.642,-0.165,-1.787,0.041).
atm(m255,a18,h,h,5.588,2.160,-1.281,0.042).
atm(m255,a19,h,h,5.884,1.674,0.412,0.041).
atm(m255,a20,h,h,7.963,2.430,-1.626,0.042).
atm(m255,a21,h,h,8.264,1.950,0.067,0.041).
atm(m255,a22,h,h,9.514,-0.131,-0.746,0.032).
atm(m255,a23,h,h,9.215,0.352,-2.438,0.032).
atm(m255,a24,h,h,11.210,1.103,-1.638,0.189).
bond(m255,a1,a2,1).
bond(m255,a1,a11,1).
bond(m255,a2,a3,1).
bond(m255,a2,a12,1).
bond(m255,a2,a13,1).
bond(m255,a3,a4,1).
bond(m255,a3,a14,1).
bond(m255,a3,a15,1).
bond(m255,a4,a5,1).
bond(m255,a5,a6,1).
bond(m255,a5,a16,1).
bond(m255,a5,a17,1).
bond(m255,a6,a7,1).
bond(m255,a6,a18,1).
bond(m255,a6,a19,1).
bond(m255,a7,a8,1).
bond(m255,a8,a9,1).
bond(m255,a8,a20,1).
bond(m255,a8,a21,1).
bond(m255,a9,a10,1).
bond(m255,a9,a22,1).
bond(m255,a9,a23,1).
bond(m255,a10,a24,1).
atm(m256,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m256,a2,c,c3,1.283,0.774,-0.203,-0.098).
atm(m256,a3,c,c3,2.364,0.324,0.768,-0.103).
atm(m256,a4,c,c3,3.653,1.103,0.562,-0.102).
atm(m256,a5,c,c3,4.731,0.653,1.535,-0.102).
atm(m256,a6,c,c3,6.020,1.433,1.330,-0.102).
atm(m256,a7,c,c3,7.099,0.981,2.301,-0.102).
atm(m256,a8,c,c3,8.388,1.761,2.097,-0.099).
atm(m256,a9,c,c3,9.465,1.307,3.068,-0.118).
atm(m256,a10,c,c3,10.752,2.099,2.849,0.075).
atm(m256,a11,o,o3,11.703,1.630,3.778,-0.311).
atm(m256,a12,h,h,0.148,-1.077,-0.152,0.038).
atm(m256,a13,h,h,-0.397,0.133,1.015,0.038).
atm(m256,a14,h,h,-0.778,0.327,-0.702,0.037).
atm(m256,a15,h,h,1.639,0.650,-1.245,0.048).
atm(m256,a16,h,h,1.094,1.859,-0.080,0.048).
atm(m256,a17,h,h,2.009,0.447,1.811,0.051).
atm(m256,a18,h,h,2.553,-0.762,0.646,0.051).
atm(m256,a19,h,h,4.008,0.979,-0.481,0.051).
atm(m256,a20,h,h,3.463,2.188,0.683,0.051).
atm(m256,a21,h,h,4.376,0.777,2.578,0.051).
atm(m256,a22,h,h,4.922,-0.432,1.413,0.051).
atm(m256,a23,h,h,6.375,1.310,0.286,0.051).
atm(m256,a24,h,h,5.830,2.518,1.453,0.050).
atm(m256,a25,h,h,6.744,1.103,3.345,0.052).
atm(m256,a26,h,h,7.290,-0.104,2.178,0.052).
atm(m256,a27,h,h,8.742,1.640,1.053,0.050).
atm(m256,a28,h,h,8.197,2.846,2.222,0.050).
atm(m256,a29,h,h,9.113,1.428,4.112,0.063).
atm(m256,a30,h,h,9.657,0.222,2.945,0.063).
atm(m256,a31,h,h,11.127,1.964,1.815,0.021).
atm(m256,a32,h,h,10.577,3.184,2.995,0.020).
atm(m256,a33,h,h,12.491,2.136,3.634,0.184).
bond(m256,a1,a2,1).
bond(m256,a1,a12,1).
bond(m256,a1,a13,1).
bond(m256,a1,a14,1).
bond(m256,a2,a3,1).
bond(m256,a2,a15,1).
bond(m256,a2,a16,1).
bond(m256,a3,a4,1).
bond(m256,a3,a17,1).
bond(m256,a3,a18,1).
bond(m256,a4,a5,1).
bond(m256,a4,a19,1).
bond(m256,a4,a20,1).
bond(m256,a5,a6,1).
bond(m256,a5,a21,1).
bond(m256,a5,a22,1).
bond(m256,a6,a7,1).
bond(m256,a6,a23,1).
bond(m256,a6,a24,1).
bond(m256,a7,a8,1).
bond(m256,a7,a25,1).
bond(m256,a7,a26,1).
bond(m256,a8,a9,1).
bond(m256,a8,a27,1).
bond(m256,a8,a28,1).
bond(m256,a9,a10,1).
bond(m256,a9,a29,1).
bond(m256,a9,a30,1).
bond(m256,a10,a11,1).
bond(m256,a10,a31,1).
bond(m256,a10,a32,1).
bond(m256,a11,a33,1).
atm(m257,a1,c,c3,0.000,0.000,0.000,-0.108).
atm(m257,a2,c,c3,1.215,0.695,0.000,-0.108).
atm(m257,a3,c,c3,2.431,0.000,0.000,-0.100).
atm(m257,a4,c,c3,3.647,0.695,0.000,-0.098).
atm(m257,a5,c,c3,4.862,0.000,0.000,-0.097).
atm(m257,a6,c,c3,6.078,0.695,0.000,-0.098).
atm(m257,a7,c,c3,7.293,0.000,0.000,-0.097).
atm(m257,a8,c,c3,8.493,0.695,0.000,-0.098).
atm(m257,a9,c,c3,9.709,0.000,0.000,-0.097).
atm(m257,a10,c,c3,10.924,0.695,0.000,-0.099).
atm(m257,a11,c,c3,12.140,0.000,0.000,-0.086).
atm(m257,a12,c,c3,13.355,0.695,0.000,-0.128).
atm(m257,a13,c,c3,14.571,0.000,0.000,0.089).
atm(m257,a14,o,o3,15.786,0.695,0.000,-0.307).
atm(m257,a15,h,h,0.194,-1.072,0.000,0.044).
atm(m257,a16,h,h,-0.570,0.266,0.890,0.041).
atm(m257,a17,h,h,-0.570,0.266,-0.890,0.041).
atm(m257,a18,h,h,1.215,1.324,-0.890,0.047).
atm(m257,a19,h,h,1.215,1.324,0.890,0.047).
atm(m257,a20,h,h,2.431,-0.629,0.890,0.048).
atm(m257,a21,h,h,2.431,-0.629,-0.890,0.048).
atm(m257,a22,h,h,3.647,1.324,-0.890,0.048).
atm(m257,a23,h,h,3.647,1.324,0.890,0.048).
atm(m257,a24,h,h,4.862,-0.629,0.890,0.048).
atm(m257,a25,h,h,4.862,-0.629,-0.890,0.048).
atm(m257,a26,h,h,6.078,1.324,-0.890,0.049).
atm(m257,a27,h,h,6.078,1.324,0.890,0.049).
atm(m257,a28,h,h,7.295,-0.629,0.890,0.049).
atm(m257,a29,h,h,7.295,-0.629,-0.890,0.049).
atm(m257,a30,h,h,8.491,1.324,-0.890,0.050).
atm(m257,a31,h,h,8.491,1.324,0.890,0.050).
atm(m257,a32,h,h,9.709,-0.629,0.890,0.048).
atm(m257,a33,h,h,9.709,-0.629,-0.890,0.048).
atm(m257,a34,h,h,10.924,1.324,-0.890,0.050).
atm(m257,a35,h,h,10.924,1.324,0.890,0.050).
atm(m257,a36,h,h,12.140,-0.629,0.890,0.047).
atm(m257,a37,h,h,12.140,-0.629,-0.890,0.047).
atm(m257,a38,h,h,13.355,1.324,-0.890,0.060).
atm(m257,a39,h,h,13.355,1.324,0.890,0.060).
atm(m257,a40,h,h,14.571,-0.629,0.890,0.011).
atm(m257,a41,h,h,14.571,-0.629,-0.890,0.011).
atm(m257,a42,h,h,16.449,0.014,0.000,0.193).
bond(m257,a1,a2,1).
bond(m257,a1,a15,1).
bond(m257,a1,a16,1).
bond(m257,a1,a17,1).
bond(m257,a2,a3,1).
bond(m257,a2,a18,1).
bond(m257,a2,a19,1).
bond(m257,a3,a4,1).
bond(m257,a3,a20,1).
bond(m257,a3,a21,1).
bond(m257,a4,a5,1).
bond(m257,a4,a22,1).
bond(m257,a4,a23,1).
bond(m257,a5,a6,1).
bond(m257,a5,a24,1).
bond(m257,a5,a25,1).
bond(m257,a6,a7,1).
bond(m257,a6,a26,1).
bond(m257,a6,a27,1).
bond(m257,a7,a8,1).
bond(m257,a7,a28,1).
bond(m257,a7,a29,1).
bond(m257,a8,a9,1).
bond(m257,a8,a30,1).
bond(m257,a8,a31,1).
bond(m257,a9,a10,1).
bond(m257,a9,a32,1).
bond(m257,a9,a33,1).
bond(m257,a10,a11,1).
bond(m257,a10,a34,1).
bond(m257,a10,a35,1).
bond(m257,a11,a12,1).
bond(m257,a11,a36,1).
bond(m257,a11,a37,1).
bond(m257,a12,a13,1).
bond(m257,a12,a38,1).
bond(m257,a12,a39,1).
bond(m257,a13,a14,1).
bond(m257,a13,a40,1).
bond(m257,a13,a41,1).
bond(m257,a14,a42,1).
atm(m258,a1,c,c3,5.596,6.055,0.000,-0.154).
atm(m258,a2,c,c3,4.076,5.964,-0.086,0.084).
atm(m258,a3,c,c3,3.475,7.253,-0.628,-0.152).
atm(m258,a4,o,o3,3.637,4.782,-0.760,-0.198).
atm(m258,a5,c,car,3.576,4.792,-2.141,0.074).
atm(m258,a6,c,car,4.636,5.191,-2.964,-0.159).
atm(m258,a7,c,car,4.532,5.061,-4.343,-0.079).
atm(m258,a8,c,car,3.382,4.532,-4.921,-0.112).
atm(m258,a9,c,car,2.316,4.135,-4.123,-0.090).
atm(m258,a10,c,car,2.408,4.264,-2.734,0.016).
atm(m258,a11,o,o3,1.294,4.019,-1.937,-0.146).
atm(m258,a12,c,c2,0.864,2.740,-1.733,0.332).
atm(m258,a13,o,o2,-0.227,2.750,-1.195,-0.363).
atm(m258,a14,n,nam,1.555,1.546,-2.169,-0.040).
atm(m258,a15,c,c3,2.911,1.327,-1.632,-0.104).
atm(m258,a16,h,h,5.892,6.870,0.672,0.052).
atm(m258,a17,h,h,6.036,5.127,0.388,0.054).
atm(m258,a18,h,h,6.055,6.250,-0.983,0.050).
atm(m258,a19,h,h,3.657,5.733,0.922,0.073).
atm(m258,a20,h,h,3.740,8.100,0.018,0.052).
atm(m258,a21,h,h,3.840,7.478,-1.640,0.052).
atm(m258,a22,h,h,2.379,7.201,-0.676,0.062).
atm(m258,a23,h,h,5.548,5.614,-2.516,0.126).
atm(m258,a24,h,h,5.366,5.376,-4.979,0.105).
atm(m258,a25,h,h,3.313,4.433,-6.009,0.109).
atm(m258,a26,h,h,1.406,3.727,-4.580,0.120).
atm(m258,a27,h,h,0.978,0.746,-2.011,0.077).
atm(m258,a28,h,h,2.934,1.169,-0.544,0.038).
atm(m258,a29,h,h,3.331,0.438,-2.120,0.053).
atm(m258,a30,h,h,3.556,2.185,-1.869,0.067).
bond(m258,a1,a2,1).
bond(m258,a1,a16,1).
bond(m258,a1,a17,1).
bond(m258,a1,a18,1).
bond(m258,a2,a3,1).
bond(m258,a2,a4,1).
bond(m258,a2,a19,1).
bond(m258,a3,a20,1).
bond(m258,a3,a21,1).
bond(m258,a3,a22,1).
bond(m258,a4,a5,1).
bond(m258,a5,a6,ar).
bond(m258,a5,a10,ar).
bond(m258,a6,a7,ar).
bond(m258,a6,a23,1).
bond(m258,a7,a8,ar).
bond(m258,a7,a24,1).
bond(m258,a8,a9,ar).
bond(m258,a8,a25,1).
bond(m258,a9,a10,ar).
bond(m258,a9,a26,1).
bond(m258,a10,a11,1).
bond(m258,a11,a12,1).
bond(m258,a12,a13,2).
bond(m258,a12,a14,1).
bond(m258,a14,a15,1).
bond(m258,a14,a27,1).
bond(m258,a15,a28,1).
bond(m258,a15,a29,1).
bond(m258,a15,a30,1).
atm(m259,a1,c,c3,0.000,1.400,0.000,-0.148).
atm(m259,a2,c,c3,1.531,1.405,-0.145,0.253).
atm(m259,a3,o,o3,2.149,1.921,1.030,-0.304).
atm(m259,a4,c,c3,2.059,-0.026,-0.311,-0.117).
atm(m259,a5,c,c1,1.897,2.205,-1.315,-0.225).
atm(m259,a6,c,c1,2.198,2.851,-2.270,-0.153).
atm(m259,a7,h,h,-0.311,0.817,0.877,0.055).
atm(m259,a8,h,h,-0.475,0.954,-0.883,0.053).
atm(m259,a9,h,h,-0.403,2.415,0.115,0.045).
atm(m259,a10,h,h,1.856,2.818,1.120,0.191).
atm(m259,a11,h,h,3.152,-0.047,-0.402,0.056).
atm(m259,a12,h,h,1.786,-0.651,0.550,0.052).
atm(m259,a13,h,h,1.639,-0.492,-1.211,0.047).
atm(m259,a14,h,h,2.468,3.427,-3.123,0.195).
bond(m259,a1,a2,1).
bond(m259,a1,a7,1).
bond(m259,a1,a8,1).
bond(m259,a1,a9,1).
bond(m259,a2,a3,1).
bond(m259,a2,a4,1).
bond(m259,a2,a5,1).
bond(m259,a3,a10,1).
bond(m259,a4,a11,1).
bond(m259,a4,a12,1).
bond(m259,a4,a13,1).
bond(m259,a5,a6,3).
bond(m259,a6,a14,1).
atm(m25,a1,c,car,2.428,0.700,0.000,-0.056).
atm(m25,a2,c,car,1.223,0.003,0.000,-0.088).
atm(m25,a3,c,car,0.020,0.697,0.000,-0.090).
atm(m25,a4,c,car,0.019,2.089,0.000,-0.055).
atm(m25,a5,c,car,1.221,2.797,0.000,-0.123).
atm(m25,a6,c,c2,1.198,4.288,0.000,0.354).
atm(m25,a7,o,o2,0.150,4.910,0.000,-0.297).
atm(m25,a8,c,c2,2.517,4.992,0.000,-0.107).
atm(m25,a9,c,c3,2.501,6.477,0.000,-0.074).
atm(m25,a10,c,c2,3.670,4.310,0.000,-0.163).
atm(m25,a11,c,c2,3.731,2.829,0.000,0.348).
atm(m25,a12,o,o2,4.807,2.256,0.000,-0.299).
atm(m25,a13,c,car,2.436,2.095,0.000,-0.120).
atm(m25,a14,h,h,3.377,0.148,0.000,0.126).
atm(m25,a15,h,h,1.227,-1.092,0.000,0.110).
atm(m25,a16,h,h,-0.930,0.152,0.000,0.110).
atm(m25,a17,h,h,-0.936,2.631,0.000,0.126).
atm(m25,a18,h,h,3.511,6.907,0.000,0.048).
atm(m25,a19,h,h,1.974,6.859,-0.885,0.063).
atm(m25,a20,h,h,1.974,6.859,0.886,0.063).
atm(m25,a21,h,h,4.634,4.838,0.000,0.127).
bond(m25,a1,a2,ar).
bond(m25,a1,a13,ar).
bond(m25,a1,a14,1).
bond(m25,a2,a3,ar).
bond(m25,a2,a15,1).
bond(m25,a3,a4,ar).
bond(m25,a3,a16,1).
bond(m25,a4,a5,ar).
bond(m25,a4,a17,1).
bond(m25,a5,a6,1).
bond(m25,a5,a13,ar).
bond(m25,a6,a7,2).
bond(m25,a6,a8,1).
bond(m25,a8,a9,1).
bond(m25,a8,a10,2).
bond(m25,a9,a18,1).
bond(m25,a9,a19,1).
bond(m25,a9,a20,1).
bond(m25,a10,a11,1).
bond(m25,a10,a21,1).
bond(m25,a11,a12,2).
bond(m25,a11,a13,1).
atm(m260,a1,c,c3,1.211,1.211,0.000,-0.143).
atm(m260,a2,cl,cl,1.402,2.898,-0.436,0.039).
atm(m260,a3,cl,cl,2.034,0.228,-1.194,0.040).
atm(m260,a4,cl,cl,-0.509,0.822,-0.062,0.009).
atm(m260,a5,c,c3,1.737,0.938,1.403,0.046).
atm(m260,a6,o,o3,3.107,1.256,1.401,-0.293).
atm(m260,a7,h,h,1.184,1.555,2.137,0.052).
atm(m260,a8,h,h,1.578,-0.127,1.662,0.053).
atm(m260,a9,h,h,3.418,1.115,2.285,0.199).
bond(m260,a1,a2,1).
bond(m260,a1,a3,1).
bond(m260,a1,a4,1).
bond(m260,a1,a5,1).
bond(m260,a5,a6,1).
bond(m260,a5,a7,1).
bond(m260,a5,a8,1).
bond(m260,a6,a9,1).
atm(m261,a1,c,car,0.184,4.887,0.000,-0.017).
atm(m261,a2,c,car,0.051,6.241,0.235,-0.135).
atm(m261,a3,c,car,0.953,7.132,-0.362,-0.061).
atm(m261,a4,cl,cl,0.787,8.775,-0.074,0.100).
atm(m261,a5,c,car,1.978,6.675,-1.184,-0.132).
atm(m261,a6,c,car,2.116,5.313,-1.428,-0.022).
atm(m261,a7,c,car,1.216,4.415,-0.832,-0.220).
atm(m261,a8,c,c3,1.396,3.018,-1.117,-0.294).
atm(m261,a9,c,c3,1.811,2.258,-3.777,-2.936).
atm(m261,a10,cl,cl,-1.085,1.625,-4.106,-0.691).
atm(m261,a11,cl,cl,0.884,2.078,-4.852,1.898).
atm(m261,a12,cl,cl,2.700,2.447,-2.713,4.252).
atm(m261,a13,o,o3,0.714,2.109,-0.563,0.001).
atm(m261,a14,c,car,3.761,3.378,-2.789,-2.193).
atm(m261,a15,c,car,5.003,3.761,-2.926,0.509).
atm(m261,a16,c,car,5.991,2.715,-3.198,-0.114).
atm(m261,a17,c,car,5.800,1.405,-2.944,-0.135).
atm(m261,a18,cl,cl,7.096,0.352,-3.329,0.057).
atm(m261,a19,c,car,4.678,0.694,-2.343,0.287).
atm(m261,a20,c,car,3.401,1.093,-2.238,-1.415).
atm(m261,a21,h,h,-0.515,4.169,0.453,0.098).
atm(m261,a22,h,h,-0.751,6.626,0.876,0.127).
atm(m261,a23,h,h,2.675,7.387,-1.643,0.129).
atm(m261,a24,h,h,2.940,4.893,-2.086,0.237).
atm(m261,a25,h,h,0.037,2.430,0.045,0.188).
atm(m261,a26,h,h,5.360,4.793,-2.830,0.066).
atm(m261,a27,h,h,6.951,3.034,-3.629,0.116).
atm(m261,a28,h,h,4.956,-0.302,-1.960,0.090).
atm(m261,a29,h,h,2.776,0.310,-1.778,0.211).
bond(m261,a1,a2,ar).
bond(m261,a1,a7,ar).
bond(m261,a1,a21,1).
bond(m261,a2,a3,ar).
bond(m261,a2,a22,1).
bond(m261,a3,a4,1).
bond(m261,a3,a5,ar).
bond(m261,a5,a6,ar).
bond(m261,a5,a23,1).
bond(m261,a6,a7,ar).
bond(m261,a6,a24,1).
bond(m261,a7,a8,1).
bond(m261,a8,a9,1).
bond(m261,a8,a13,1).
bond(m261,a8,a14,1).
bond(m261,a9,a10,1).
bond(m261,a9,a11,1).
bond(m261,a9,a12,1).
bond(m261,a13,a25,1).
bond(m261,a14,a15,ar).
bond(m261,a14,a20,ar).
bond(m261,a15,a16,ar).
bond(m261,a15,a26,1).
bond(m261,a16,a17,ar).
bond(m261,a16,a27,1).
bond(m261,a17,a18,1).
bond(m261,a17,a19,ar).
bond(m261,a19,a20,ar).
bond(m261,a19,a28,1).
bond(m261,a20,a29,1).
atm(m262,a1,c,car,2.095,0.000,0.000,-0.138).
atm(m262,a2,c,car,0.708,0.000,-0.071,-0.080).
atm(m262,a3,c,car,0.049,0.790,-1.008,-0.126).
atm(m262,a4,c,car,0.779,1.584,-1.887,-0.079).
atm(m262,a5,c,car,2.167,1.601,-1.837,-0.144).
atm(m262,a6,c,car,2.826,0.809,-0.884,0.143).
atm(m262,a7,o,o3,4.191,0.703,-0.899,-0.529).
atm(m262,a8,p,p3,5.272,1.761,-0.145,2.170).
atm(m262,a9,o,o2,6.631,1.287,-0.142,-0.821).
atm(m262,a10,o,o3,4.927,3.201,-0.995,-0.560).
atm(m262,a11,c,car,5.625,4.354,-0.762,0.137).
atm(m262,a12,c,car,5.078,5.328,0.089,-0.158).
atm(m262,a13,c,car,5.727,6.549,0.230,-0.080).
atm(m262,a14,c,car,6.903,6.807,-0.467,-0.128).
atm(m262,a15,c,car,7.436,5.844,-1.318,-0.075).
atm(m262,a16,c,car,6.805,4.616,-1.477,-0.144).
atm(m262,a17,o,o3,4.498,2.066,1.347,-0.578).
atm(m262,a18,c,car,5.177,2.093,2.533,0.151).
atm(m262,a19,c,car,5.229,0.937,3.327,-0.148).
atm(m262,a20,c,car,5.814,1.005,4.585,-0.073).
atm(m262,a21,c,car,6.337,2.205,5.057,-0.130).
atm(m262,a22,c,car,6.273,3.352,4.271,-0.071).
atm(m262,a23,c,car,5.693,3.309,3.009,-0.166).
atm(m262,a24,h,h,2.609,-0.628,0.736,0.113).
atm(m262,a25,h,h,0.130,-0.627,0.616,0.101).
atm(m262,a26,h,h,-1.044,0.784,-1.056,0.104).
atm(m262,a27,h,h,0.257,2.201,-2.626,0.101).
atm(m262,a28,h,h,2.736,2.227,-2.534,0.122).
atm(m262,a29,h,h,4.142,5.137,0.626,0.122).
atm(m262,a30,h,h,5.306,7.312,0.891,0.102).
atm(m262,a31,h,h,7.409,7.771,-0.348,0.105).
atm(m262,a32,h,h,8.358,6.053,-1.870,0.103).
atm(m262,a33,h,h,7.226,3.865,-2.155,0.120).
atm(m262,a34,h,h,4.808,-0.008,2.967,0.112).
atm(m262,a35,h,h,5.862,0.107,5.210,0.101).
atm(m262,a36,h,h,6.798,2.248,6.049,0.105).
atm(m262,a37,h,h,6.679,4.296,4.648,0.101).
atm(m262,a38,h,h,5.630,4.218,2.396,0.119).
bond(m262,a1,a2,ar).
bond(m262,a1,a6,ar).
bond(m262,a1,a24,1).
bond(m262,a2,a3,ar).
bond(m262,a2,a25,1).
bond(m262,a3,a4,ar).
bond(m262,a3,a26,1).
bond(m262,a4,a5,ar).
bond(m262,a4,a27,1).
bond(m262,a5,a6,ar).
bond(m262,a5,a28,1).
bond(m262,a6,a7,1).
bond(m262,a7,a8,1).
bond(m262,a8,a9,2).
bond(m262,a8,a10,1).
bond(m262,a8,a17,1).
bond(m262,a10,a11,1).
bond(m262,a11,a12,ar).
bond(m262,a11,a16,ar).
bond(m262,a12,a13,ar).
bond(m262,a12,a29,1).
bond(m262,a13,a14,ar).
bond(m262,a13,a30,1).
bond(m262,a14,a15,ar).
bond(m262,a14,a31,1).
bond(m262,a15,a16,ar).
bond(m262,a15,a32,1).
bond(m262,a16,a33,1).
bond(m262,a17,a18,1).
bond(m262,a18,a19,ar).
bond(m262,a18,a23,ar).
bond(m262,a19,a20,ar).
bond(m262,a19,a34,1).
bond(m262,a20,a21,ar).
bond(m262,a20,a35,1).
bond(m262,a21,a22,ar).
bond(m262,a21,a36,1).
bond(m262,a22,a23,ar).
bond(m262,a22,a37,1).
bond(m262,a23,a38,1).
atm(m263,a1,s,so,0.696,2.420,0.000,1.002).
atm(m263,a2,o,o2,-0.264,3.620,0.233,-0.690).
atm(m263,a3,c,c3,-0.048,1.034,0.916,-0.375).
atm(m263,a4,c,car,2.135,2.739,1.027,-0.396).
atm(m263,a5,c,car,2.546,4.045,1.288,0.002).
atm(m263,a6,c,car,3.719,4.293,1.990,-0.171).
atm(m263,a7,c,car,4.491,3.213,2.446,0.168).
atm(m263,a8,o,o3,5.703,3.453,3.022,-0.565).
atm(m263,a9,p,p3,5.980,3.554,4.725,1.858).
atm(m263,a10,s,s2,5.149,2.318,5.935,-0.631).
atm(m263,a11,o,o3,7.657,3.457,4.649,-0.578).
atm(m263,a12,c,c3,8.512,4.248,3.862,0.123).
atm(m263,a13,c,c3,9.910,3.660,3.948,-0.124).
atm(m263,a14,o,o3,5.627,5.180,5.014,-0.601).
atm(m263,a15,c,c3,5.872,6.286,4.187,0.133).
atm(m263,a16,c,c3,6.870,7.237,4.830,-0.151).
atm(m263,a17,c,car,2.905,1.673,1.499,-0.030).
atm(m263,a18,c,car,4.082,1.893,2.197,-0.151).
atm(m263,a19,h,h,0.734,0.348,1.276,0.084).
atm(m263,a20,h,h,-0.651,1.340,1.778,0.093).
atm(m263,a21,h,h,-0.707,0.473,0.243,0.089).
atm(m263,a22,h,h,1.929,4.887,0.942,0.130).
atm(m263,a23,h,h,4.035,5.326,2.181,0.117).
atm(m263,a24,h,h,8.157,4.275,2.814,0.032).
atm(m263,a25,h,h,8.493,5.291,4.255,0.030).
atm(m263,a26,h,h,10.280,3.625,4.982,0.051).
atm(m263,a27,h,h,9.951,2.636,3.555,0.051).
atm(m263,a28,h,h,10.611,4.270,3.364,0.043).
atm(m263,a29,h,h,6.217,5.970,3.182,0.026).
atm(m263,a30,h,h,4.881,6.765,4.069,0.044).
atm(m263,a31,h,h,6.940,8.164,4.247,0.049).
atm(m263,a32,h,h,6.582,7.509,5.854,0.060).
atm(m263,a33,h,h,7.880,6.796,4.877,0.047).
atm(m263,a34,h,h,2.547,0.644,1.329,0.107).
atm(m263,a35,h,h,4.678,1.043,2.550,0.125).
bond(m263,a1,a2,2).
bond(m263,a1,a3,1).
bond(m263,a1,a4,1).
bond(m263,a3,a19,1).
bond(m263,a3,a20,1).
bond(m263,a3,a21,1).
bond(m263,a4,a5,ar).
bond(m263,a4,a17,ar).
bond(m263,a5,a6,ar).
bond(m263,a5,a22,1).
bond(m263,a6,a7,ar).
bond(m263,a6,a23,1).
bond(m263,a7,a8,1).
bond(m263,a7,a18,ar).
bond(m263,a8,a9,1).
bond(m263,a9,a10,2).
bond(m263,a9,a11,1).
bond(m263,a9,a14,1).
bond(m263,a11,a12,1).
bond(m263,a12,a13,1).
bond(m263,a12,a24,1).
bond(m263,a12,a25,1).
bond(m263,a13,a26,1).
bond(m263,a13,a27,1).
bond(m263,a13,a28,1).
bond(m263,a14,a15,1).
bond(m263,a15,a16,1).
bond(m263,a15,a29,1).
bond(m263,a15,a30,1).
bond(m263,a16,a31,1).
bond(m263,a16,a32,1).
bond(m263,a16,a33,1).
bond(m263,a17,a18,ar).
bond(m263,a17,a34,1).
bond(m263,a18,a35,1).
atm(m264,a1,c,c3,0.000,0.890,0.000,-0.192).
atm(m264,a2,s,s3,1.764,1.246,-0.064,-0.046).
atm(m264,a3,c,c3,2.570,-0.398,-0.442,-0.060).
atm(m264,a4,c,c3,2.191,-0.894,-1.834,-0.117).
atm(m264,a5,c,c3,2.200,-1.448,0.596,-0.119).
atm(m264,a6,c,c2,4.034,-0.034,-0.458,-0.081).
atm(m264,a7,n,n2,4.910,-0.791,0.113,0.041).
atm(m264,a8,o,o3,6.265,-0.297,0.030,-0.228).
atm(m264,a9,c,c2,7.191,-1.269,0.319,0.353).
atm(m264,a10,o,o2,6.949,-2.459,0.374,-0.366).
atm(m264,a11,n,nam,8.514,-0.726,0.407,-0.021).
atm(m264,a12,c,c3,8.707,0.629,0.954,-0.088).
atm(m264,a13,h,h,-0.384,0.443,-0.925,0.066).
atm(m264,a14,h,h,-0.516,1.845,0.153,0.086).
atm(m264,a15,h,h,-0.274,0.224,0.827,0.068).
atm(m264,a16,h,h,2.457,-0.166,-2.612,0.059).
atm(m264,a17,h,h,2.705,-1.836,-2.069,0.059).
atm(m264,a18,h,h,1.111,-1.084,-1.910,0.050).
atm(m264,a19,h,h,2.724,-2.396,0.410,0.070).
atm(m264,a20,h,h,2.454,-1.124,1.614,0.066).
atm(m264,a21,h,h,1.122,-1.662,0.573,0.045).
atm(m264,a22,h,h,4.297,0.896,-0.994,0.131).
atm(m264,a23,h,h,9.151,-1.386,0.801,0.080).
atm(m264,a24,h,h,9.780,0.859,0.942,0.051).
atm(m264,a25,h,h,8.196,1.369,0.324,0.059).
atm(m264,a26,h,h,8.341,0.743,1.985,0.035).
bond(m264,a1,a2,1).
bond(m264,a1,a13,1).
bond(m264,a1,a14,1).
bond(m264,a1,a15,1).
bond(m264,a2,a3,1).
bond(m264,a3,a4,1).
bond(m264,a3,a5,1).
bond(m264,a3,a6,1).
bond(m264,a4,a16,1).
bond(m264,a4,a17,1).
bond(m264,a4,a18,1).
bond(m264,a5,a19,1).
bond(m264,a5,a20,1).
bond(m264,a5,a21,1).
bond(m264,a6,a7,2).
bond(m264,a6,a22,1).
bond(m264,a7,a8,1).
bond(m264,a8,a9,1).
bond(m264,a9,a10,2).
bond(m264,a9,a11,1).
bond(m264,a11,a12,1).
bond(m264,a11,a23,1).
bond(m264,a12,a24,1).
bond(m264,a12,a25,1).
bond(m264,a12,a26,1).
atm(m265,a1,c,c3,9.104,8.488,0.000,-0.112).
atm(m265,a2,c,c3,8.398,7.278,0.000,-0.110).
atm(m265,a3,c,c3,9.104,6.058,0.000,-0.174).
atm(m265,a4,c,c3,8.398,4.848,0.000,-0.083).
atm(m265,a5,c,c3,9.104,3.639,0.000,-0.121).
atm(m265,a6,c,c3,10.492,3.639,0.000,-0.065).
atm(m265,a7,c,c3,11.197,4.848,0.000,-0.165).
atm(m265,a8,c,c3,8.398,2.430,0.000,-0.092).
atm(m265,a9,o,o3,6.998,2.430,0.000,0.052).
atm(m265,a10,c,c2,6.304,1.209,0.000,0.209).
atm(m265,a11,o,o2,6.998,0.000,0.000,-0.440).
atm(m265,a12,c,car,4.904,1.209,0.000,-0.014).
atm(m265,a13,c,car,4.199,0.000,0.000,-0.049).
atm(m265,a14,c,car,2.799,0.000,0.000,-0.063).
atm(m265,a15,c,car,2.094,1.209,0.000,-0.099).
atm(m265,a16,c,car,2.799,2.430,0.000,-0.042).
atm(m265,a17,c,car,4.199,2.430,0.000,-0.120).
atm(m265,a18,c,c2,4.904,3.639,0.000,0.363).
atm(m265,a19,o,o2,6.304,3.639,0.000,-0.260).
atm(m265,a20,o,o3,4.199,4.848,0.000,-0.203).
atm(m265,a21,c,c3,4.904,6.058,0.000,0.105).
atm(m265,a22,c,c3,4.199,7.278,0.000,-0.152).
atm(m265,a23,c,c3,2.799,7.278,0.000,-0.060).
atm(m265,a24,c,c3,2.094,8.488,0.000,-0.172).
atm(m265,a25,c,c3,0.694,8.488,0.000,-0.105).
atm(m265,a26,c,c3,0.000,9.697,0.000,-0.111).
atm(m265,a27,c,c3,4.904,8.488,0.000,-0.064).
atm(m265,a28,c,c3,4.199,9.697,0.000,-0.169).
atm(m265,a29,h,h,10.174,8.284,0.000,0.047).
atm(m265,a30,h,h,8.843,9.060,-0.890,0.040).
atm(m265,a31,h,h,8.843,9.060,0.890,0.039).
atm(m265,a32,h,h,7.769,7.280,0.890,0.042).
atm(m265,a33,h,h,7.769,7.280,-0.890,0.047).
atm(m265,a34,h,h,9.733,6.056,-0.890,0.086).
atm(m265,a35,h,h,9.733,6.056,0.890,0.080).
atm(m265,a36,h,h,7.769,4.848,0.890,0.059).
atm(m265,a37,h,h,7.769,4.848,-0.890,0.062).
atm(m265,a38,h,h,9.106,3.639,1.090,0.039).
atm(m265,a39,h,h,10.805,3.093,0.890,0.042).
atm(m265,a40,h,h,10.805,3.093,-0.890,0.044).
atm(m265,a41,h,h,12.268,4.645,0.000,0.042).
atm(m265,a42,h,h,10.937,5.421,-0.890,0.071).
atm(m265,a43,h,h,10.937,5.421,0.890,0.065).
atm(m265,a44,h,h,8.712,1.884,-0.890,0.048).
atm(m265,a45,h,h,8.712,1.884,0.890,0.048).
atm(m265,a46,h,h,4.742,-0.945,0.000,0.146).
atm(m265,a47,h,h,2.256,-0.945,0.000,0.112).
atm(m265,a48,h,h,1.004,1.207,0.000,0.114).
atm(m265,a49,h,h,2.254,3.374,0.000,0.122).
atm(m265,a50,h,h,5.534,6.056,0.890,0.048).
atm(m265,a51,h,h,5.534,6.056,-0.890,0.047).
atm(m265,a52,h,h,4.198,7.279,1.090,0.045).
atm(m265,a53,h,h,2.486,6.733,-0.890,0.049).
atm(m265,a54,h,h,2.486,6.733,0.890,0.047).
atm(m265,a55,h,h,2.407,9.033,0.890,0.080).
atm(m265,a56,h,h,2.407,9.033,-0.890,0.086).
atm(m265,a57,h,h,0.379,7.943,-0.890,0.048).
atm(m265,a58,h,h,0.379,7.943,0.890,0.046).
atm(m265,a59,h,h,0.710,10.524,0.000,0.044).
atm(m265,a60,h,h,-0.627,9.756,-0.890,0.043).
atm(m265,a61,h,h,-0.627,9.756,0.890,0.043).
atm(m265,a62,h,h,5.534,8.488,0.890,0.048).
atm(m265,a63,h,h,5.534,8.488,-0.890,0.050).
atm(m265,a64,h,h,4.904,10.529,0.000,0.050).
atm(m265,a65,h,h,3.572,9.752,-0.890,0.075).
atm(m265,a66,h,h,3.572,9.752,0.890,0.070).
bond(m265,a1,a2,1).
bond(m265,a1,a29,1).
bond(m265,a1,a30,1).
bond(m265,a1,a31,1).
bond(m265,a2,a3,1).
bond(m265,a2,a32,1).
bond(m265,a2,a33,1).
bond(m265,a3,a4,1).
bond(m265,a3,a34,1).
bond(m265,a3,a35,1).
bond(m265,a4,a5,1).
bond(m265,a4,a36,1).
bond(m265,a4,a37,1).
bond(m265,a5,a6,1).
bond(m265,a5,a8,1).
bond(m265,a5,a38,1).
bond(m265,a6,a7,1).
bond(m265,a6,a39,1).
bond(m265,a6,a40,1).
bond(m265,a7,a41,1).
bond(m265,a7,a42,1).
bond(m265,a7,a43,1).
bond(m265,a8,a9,1).
bond(m265,a8,a44,1).
bond(m265,a8,a45,1).
bond(m265,a9,a10,1).
bond(m265,a10,a11,2).
bond(m265,a10,a12,1).
bond(m265,a12,a13,ar).
bond(m265,a12,a17,ar).
bond(m265,a13,a14,ar).
bond(m265,a13,a46,1).
bond(m265,a14,a15,ar).
bond(m265,a14,a47,1).
bond(m265,a15,a16,ar).
bond(m265,a15,a48,1).
bond(m265,a16,a17,ar).
bond(m265,a16,a49,1).
bond(m265,a17,a18,1).
bond(m265,a18,a19,2).
bond(m265,a18,a20,1).
bond(m265,a20,a21,1).
bond(m265,a21,a22,1).
bond(m265,a21,a50,1).
bond(m265,a21,a51,1).
bond(m265,a22,a23,1).
bond(m265,a22,a27,1).
bond(m265,a22,a52,1).
bond(m265,a23,a24,1).
bond(m265,a23,a53,1).
bond(m265,a23,a54,1).
bond(m265,a24,a25,1).
bond(m265,a24,a55,1).
bond(m265,a24,a56,1).
bond(m265,a25,a26,1).
bond(m265,a25,a57,1).
bond(m265,a25,a58,1).
bond(m265,a26,a59,1).
bond(m265,a26,a60,1).
bond(m265,a26,a61,1).
bond(m265,a27,a28,1).
bond(m265,a27,a62,1).
bond(m265,a27,a63,1).
bond(m265,a28,a64,1).
bond(m265,a28,a65,1).
bond(m265,a28,a66,1).
atm(m266,a1,c,c3,14.600,2.102,0.000,-0.108).
atm(m266,a2,c,c3,13.388,1.402,0.000,-0.106).
atm(m266,a3,c,c3,12.162,2.102,0.000,-0.109).
atm(m266,a4,c,c3,10.950,1.402,0.000,-0.099).
atm(m266,a5,c,c3,9.738,2.102,0.000,-0.104).
atm(m266,a6,c,c3,8.512,1.402,0.000,-0.096).
atm(m266,a7,c,c3,7.300,2.102,0.000,-0.094).
atm(m266,a8,c,c3,6.088,1.402,0.000,-0.124).
atm(m266,a9,o,o3,4.862,2.102,0.000,0.046).
atm(m266,a10,c,c2,3.650,1.402,0.000,0.213).
atm(m266,a11,o,o2,3.650,0.000,0.000,-0.445).
atm(m266,a12,c,car,2.438,2.102,0.000,-0.003).
atm(m266,a13,c,car,1.212,1.402,0.000,-0.053).
atm(m266,a14,c,car,0.000,2.102,0.000,-0.060).
atm(m266,a15,c,car,0.000,3.519,0.000,-0.099).
atm(m266,a16,c,car,1.212,4.220,0.000,-0.043).
atm(m266,a17,c,car,2.438,3.519,0.000,-0.126).
atm(m266,a18,c,c2,3.650,4.220,0.000,0.369).
atm(m266,a19,o,o2,4.862,3.519,0.000,-0.280).
atm(m266,a20,o,o3,3.650,5.621,0.000,-0.198).
atm(m266,a21,c,c3,4.862,6.322,0.000,0.093).
atm(m266,a22,c,c3,6.088,5.621,0.000,-0.193).
atm(m266,a23,c,c3,7.300,6.322,0.000,-0.076).
atm(m266,a24,c,c3,8.512,5.621,0.000,-0.111).
atm(m266,a25,c,c3,9.738,6.322,0.000,-0.094).
atm(m266,a26,c,c3,10.950,5.621,0.000,-0.113).
atm(m266,a27,c,c3,12.162,6.322,0.000,-0.104).
atm(m266,a28,c,c3,13.388,5.621,0.000,-0.113).
atm(m266,a29,h,h,15.429,1.395,0.000,0.045).
atm(m266,a30,h,h,14.657,2.729,-0.890,0.040).
atm(m266,a31,h,h,14.657,2.729,0.890,0.040).
atm(m266,a32,h,h,13.390,0.772,-0.890,0.048).
atm(m266,a33,h,h,13.390,0.772,0.890,0.048).
atm(m266,a34,h,h,12.160,2.732,0.890,0.051).
atm(m266,a35,h,h,12.160,2.732,-0.890,0.051).
atm(m266,a36,h,h,10.950,0.772,-0.890,0.050).
atm(m266,a37,h,h,10.950,0.772,0.890,0.050).
atm(m266,a38,h,h,9.740,2.732,0.890,0.049).
atm(m266,a39,h,h,9.740,2.732,-0.890,0.049).
atm(m266,a40,h,h,8.510,0.772,-0.890,0.050).
atm(m266,a41,h,h,8.510,0.772,0.890,0.050).
atm(m266,a42,h,h,7.300,2.732,0.890,0.050).
atm(m266,a43,h,h,7.300,2.732,-0.890,0.050).
atm(m266,a44,h,h,6.090,0.772,-0.890,0.052).
atm(m266,a45,h,h,6.090,0.772,0.890,0.052).
atm(m266,a46,h,h,1.209,0.312,0.000,0.146).
atm(m266,a47,h,h,-0.944,1.558,0.000,0.112).
atm(m266,a48,h,h,-0.944,4.063,0.000,0.113).
atm(m266,a49,h,h,1.209,5.310,0.000,0.121).
atm(m266,a50,h,h,4.860,6.951,-0.890,0.049).
atm(m266,a51,h,h,4.860,6.951,0.890,0.049).
atm(m266,a52,h,h,6.090,4.992,0.890,0.092).
atm(m266,a53,h,h,6.090,4.992,-0.890,0.092).
atm(m266,a54,h,h,7.300,6.951,-0.890,0.045).
atm(m266,a55,h,h,7.300,6.951,0.890,0.045).
atm(m266,a56,h,h,8.510,4.992,0.890,0.058).
atm(m266,a57,h,h,8.510,4.992,-0.890,0.058).
atm(m266,a58,h,h,9.740,6.951,-0.890,0.047).
atm(m266,a59,h,h,9.740,6.951,0.890,0.047).
atm(m266,a60,h,h,10.950,4.992,0.890,0.055).
atm(m266,a61,h,h,10.950,4.992,-0.890,0.055).
atm(m266,a62,h,h,12.160,6.951,-0.890,0.046).
atm(m266,a63,h,h,12.160,6.951,0.890,0.046).
atm(m266,a64,h,h,14.214,6.333,0.000,0.045).
atm(m266,a65,h,h,13.449,4.995,0.890,0.043).
atm(m266,a66,h,h,13.449,4.995,-0.890,0.043).
bond(m266,a1,a2,1).
bond(m266,a1,a29,1).
bond(m266,a1,a30,1).
bond(m266,a1,a31,1).
bond(m266,a2,a3,1).
bond(m266,a2,a32,1).
bond(m266,a2,a33,1).
bond(m266,a3,a4,1).
bond(m266,a3,a34,1).
bond(m266,a3,a35,1).
bond(m266,a4,a5,1).
bond(m266,a4,a36,1).
bond(m266,a4,a37,1).
bond(m266,a5,a6,1).
bond(m266,a5,a38,1).
bond(m266,a5,a39,1).
bond(m266,a6,a7,1).
bond(m266,a6,a40,1).
bond(m266,a6,a41,1).
bond(m266,a7,a8,1).
bond(m266,a7,a42,1).
bond(m266,a7,a43,1).
bond(m266,a8,a9,1).
bond(m266,a8,a44,1).
bond(m266,a8,a45,1).
bond(m266,a9,a10,1).
bond(m266,a10,a11,2).
bond(m266,a10,a12,1).
bond(m266,a12,a13,ar).
bond(m266,a12,a17,ar).
bond(m266,a13,a14,ar).
bond(m266,a13,a46,1).
bond(m266,a14,a15,ar).
bond(m266,a14,a47,1).
bond(m266,a15,a16,ar).
bond(m266,a15,a48,1).
bond(m266,a16,a17,ar).
bond(m266,a16,a49,1).
bond(m266,a17,a18,1).
bond(m266,a18,a19,2).
bond(m266,a18,a20,1).
bond(m266,a20,a21,1).
bond(m266,a21,a22,1).
bond(m266,a21,a50,1).
bond(m266,a21,a51,1).
bond(m266,a22,a23,1).
bond(m266,a22,a52,1).
bond(m266,a22,a53,1).
bond(m266,a23,a24,1).
bond(m266,a23,a54,1).
bond(m266,a23,a55,1).
bond(m266,a24,a25,1).
bond(m266,a24,a56,1).
bond(m266,a24,a57,1).
bond(m266,a25,a26,1).
bond(m266,a25,a58,1).
bond(m266,a25,a59,1).
bond(m266,a26,a27,1).
bond(m266,a26,a60,1).
bond(m266,a26,a61,1).
bond(m266,a27,a28,1).
bond(m266,a27,a62,1).
bond(m266,a27,a63,1).
bond(m266,a28,a64,1).
bond(m266,a28,a65,1).
bond(m266,a28,a66,1).
atm(m267,a1,c,car,2.100,0.000,0.000,-0.002).
atm(m267,a2,c,car,0.716,-0.010,0.000,-0.167).
atm(m267,a3,c,car,0.006,1.192,0.000,-0.023).
atm(m267,a4,c,car,0.678,2.401,0.000,-0.173).
atm(m267,a5,c,car,2.087,2.417,0.000,0.187).
atm(m267,a6,o,o3,2.635,3.659,0.000,-0.242).
atm(m267,a7,c,car,2.814,1.210,0.000,-0.245).
atm(m267,a8,c,c2,4.294,1.120,0.000,0.458).
atm(m267,a9,o,o2,4.973,0.114,0.000,-0.368).
atm(m267,a10,o,o3,4.901,2.357,0.000,-0.241).
atm(m267,a11,c,car,6.281,2.532,0.000,0.087).
atm(m267,a12,c,car,6.667,3.879,0.000,-0.138).
atm(m267,a13,c,car,8.022,4.183,0.000,-0.076).
atm(m267,a14,c,car,8.974,3.167,0.001,-0.124).
atm(m267,a15,c,car,8.576,1.835,0.001,-0.068).
atm(m267,a16,c,car,7.226,1.504,0.001,-0.161).
atm(m267,a17,h,h,2.650,-0.950,0.000,0.121).
atm(m267,a18,h,h,0.176,-0.962,0.000,0.113).
atm(m267,a19,h,h,-1.089,1.177,0.000,0.103).
atm(m267,a20,h,h,0.123,3.346,0.000,0.128).
atm(m267,a21,h,h,3.589,3.585,0.000,0.231).
atm(m267,a22,h,h,5.918,4.680,-0.001,0.116).
atm(m267,a23,h,h,8.341,5.231,0.000,0.104).
atm(m267,a24,h,h,10.040,3.419,0.001,0.106).
atm(m267,a25,h,h,9.325,1.037,0.001,0.105).
atm(m267,a26,h,h,6.867,0.457,0.001,0.167).
bond(m267,a1,a2,ar).
bond(m267,a1,a7,ar).
bond(m267,a1,a17,1).
bond(m267,a2,a3,ar).
bond(m267,a2,a18,1).
bond(m267,a3,a4,ar).
bond(m267,a3,a19,1).
bond(m267,a4,a5,ar).
bond(m267,a4,a20,1).
bond(m267,a5,a6,1).
bond(m267,a5,a7,ar).
bond(m267,a6,a21,1).
bond(m267,a7,a8,1).
bond(m267,a8,a9,2).
bond(m267,a8,a10,1).
bond(m267,a10,a11,1).
bond(m267,a11,a12,ar).
bond(m267,a11,a16,ar).
bond(m267,a12,a13,ar).
bond(m267,a12,a22,1).
bond(m267,a13,a14,ar).
bond(m267,a13,a23,1).
bond(m267,a14,a15,ar).
bond(m267,a14,a24,1).
bond(m267,a15,a16,ar).
bond(m267,a15,a25,1).
bond(m267,a16,a26,1).
atm(m268,a1,c,car,2.100,0.000,0.000,-0.004).
atm(m268,a2,c,car,0.716,-0.008,0.000,-0.168).
atm(m268,a3,c,car,0.007,1.195,0.000,-0.026).
atm(m268,a4,c,car,0.680,2.403,0.000,-0.174).
atm(m268,a5,c,car,2.089,2.418,0.001,0.184).
atm(m268,a6,o,o3,2.644,3.657,0.001,-0.246).
atm(m268,a7,c,car,2.813,1.209,0.000,-0.238).
atm(m268,a8,c,c2,4.292,1.129,0.000,0.447).
atm(m268,a9,o,o2,4.989,0.134,-0.001,-0.378).
atm(m268,a10,o,o3,4.913,2.352,0.002,-0.310).
atm(m268,a11,c,c3,6.341,2.410,0.002,0.092).
atm(m268,a12,c,c3,6.702,3.883,0.003,-0.131).
atm(m268,a13,h,h,2.651,-0.950,0.000,0.121).
atm(m268,a14,h,h,0.175,-0.960,0.000,0.112).
atm(m268,a15,h,h,-1.088,1.181,0.000,0.102).
atm(m268,a16,h,h,0.126,3.349,0.001,0.127).
atm(m268,a17,h,h,3.598,3.575,0.001,0.234).
atm(m268,a18,h,h,6.732,1.890,0.896,0.051).
atm(m268,a19,h,h,6.732,1.892,-0.894,0.051).
atm(m268,a20,h,h,7.793,4.001,0.003,0.053).
atm(m268,a21,h,h,6.312,4.406,-0.880,0.050).
atm(m268,a22,h,h,6.313,4.404,0.889,0.050).
bond(m268,a1,a2,ar).
bond(m268,a1,a7,ar).
bond(m268,a1,a13,1).
bond(m268,a2,a3,ar).
bond(m268,a2,a14,1).
bond(m268,a3,a4,ar).
bond(m268,a3,a15,1).
bond(m268,a4,a5,ar).
bond(m268,a4,a16,1).
bond(m268,a5,a6,1).
bond(m268,a5,a7,ar).
bond(m268,a6,a17,1).
bond(m268,a7,a8,1).
bond(m268,a8,a9,2).
bond(m268,a8,a10,1).
bond(m268,a10,a11,1).
bond(m268,a11,a12,1).
bond(m268,a11,a18,1).
bond(m268,a11,a19,1).
bond(m268,a12,a20,1).
bond(m268,a12,a21,1).
bond(m268,a12,a22,1).
atm(m269,a1,o,o3,5.600,2.425,0.000,-0.191).
atm(m269,a2,c,car,4.246,2.493,0.023,0.155).
atm(m269,a3,c,car,3.579,1.317,-0.336,-0.176).
atm(m269,a4,br,br,4.649,-0.135,-0.780,0.060).
atm(m269,a5,c,car,2.203,1.220,-0.363,-0.009).
atm(m269,a6,c,car,1.488,2.357,-0.016,-0.157).
atm(m269,a7,br,br,-0.374,2.268,-0.040,0.023).
atm(m269,a8,c,car,2.082,3.551,0.348,-0.012).
atm(m269,a9,c,car,3.466,3.599,0.361,-0.211).
atm(m269,a10,br,br,4.266,5.211,0.852,0.034).
atm(m269,a11,h,h,5.950,3.270,0.257,0.207).
atm(m269,a12,h,h,1.699,0.290,-0.646,0.139).
atm(m269,a13,h,h,1.484,4.429,0.616,0.139).
bond(m269,a1,a2,1).
bond(m269,a1,a11,1).
bond(m269,a2,a3,ar).
bond(m269,a2,a9,ar).
bond(m269,a3,a4,1).
bond(m269,a3,a5,ar).
bond(m269,a5,a6,ar).
bond(m269,a5,a12,1).
bond(m269,a6,a7,1).
bond(m269,a6,a8,ar).
bond(m269,a8,a9,ar).
bond(m269,a8,a13,1).
bond(m269,a9,a10,1).
atm(m26,a1,o,o3,1.402,0.000,0.000,-0.206).
atm(m26,a2,c,car,2.043,1.201,0.000,0.119).
atm(m26,a3,c,car,1.227,2.346,-0.001,-0.172).
atm(m26,a4,cl,cl,-0.443,2.212,-0.001,0.135).
atm(m26,a5,c,car,1.819,3.609,-0.001,-0.115).
atm(m26,a6,cl,cl,0.857,4.978,-0.001,0.128).
atm(m26,a7,c,car,3.211,3.734,-0.001,-0.159).
atm(m26,a8,cl,cl,3.907,5.263,-0.001,0.104).
atm(m26,a9,c,car,4.023,2.605,0.000,-0.052).
atm(m26,a10,c,car,3.441,1.342,0.000,-0.210).
atm(m26,a11,cl,cl,4.431,-0.025,0.000,0.088).
atm(m26,a12,h,h,2.059,-0.688,0.000,0.208).
atm(m26,a13,h,h,5.115,2.708,0.000,0.131).
bond(m26,a1,a2,1).
bond(m26,a1,a12,1).
bond(m26,a2,a3,ar).
bond(m26,a2,a10,ar).
bond(m26,a3,a4,1).
bond(m26,a3,a5,ar).
bond(m26,a5,a6,1).
bond(m26,a5,a7,ar).
bond(m26,a7,a8,1).
bond(m26,a7,a9,ar).
bond(m26,a9,a10,ar).
bond(m26,a9,a13,1).
bond(m26,a10,a11,1).
atm(m270,a1,o,o3,2.100,0.000,0.000,-0.224).
atm(m270,a2,c,car,2.742,1.204,0.015,0.143).
atm(m270,a3,c,car,1.939,2.353,0.077,-0.387).
atm(m270,a4,n,n4,0.440,2.258,0.153,1.324).
atm(m270,a5,o,oco2,-0.208,2.474,-0.850,-0.596).
atm(m270,a6,o,oco2,-0.082,2.006,1.217,-0.585).
atm(m270,a7,c,car,2.535,3.616,0.065,-0.045).
atm(m270,a8,c,car,3.927,3.732,0.000,-0.119).
atm(m270,a9,n,npl3,4.544,5.018,0.103,0.082).
atm(m270,a10,c,car,4.726,2.576,-0.055,-0.060).
atm(m270,a11,c,car,4.140,1.323,-0.049,-0.168).
atm(m270,a12,h,h,2.756,-0.686,0.015,0.214).
atm(m270,a13,h,h,1.908,4.518,0.105,0.122).
atm(m270,a14,h,h,5.432,5.036,-0.345,0.033).
atm(m270,a15,h,h,3.951,5.741,-0.241,0.035).
atm(m270,a16,h,h,5.819,2.658,-0.104,0.113).
atm(m270,a17,h,h,4.771,0.427,-0.093,0.118).
bond(m270,a1,a2,1).
bond(m270,a1,a12,1).
bond(m270,a2,a3,ar).
bond(m270,a2,a11,ar).
bond(m270,a3,a4,1).
bond(m270,a3,a7,ar).
bond(m270,a4,a5,2).
bond(m270,a4,a6,1).
bond(m270,a7,a8,ar).
bond(m270,a7,a13,1).
bond(m270,a8,a9,1).
bond(m270,a8,a10,ar).
bond(m270,a9,a14,1).
bond(m270,a9,a15,1).
bond(m270,a10,a11,ar).
bond(m270,a10,a16,1).
bond(m270,a11,a17,1).
atm(m271,a1,c,car,6.054,2.798,0.000,-0.054).
atm(m271,a2,c,car,7.256,2.098,-0.022,-0.112).
atm(m271,a3,c,car,7.253,0.708,-0.079,-0.082).
atm(m271,a4,c,car,6.047,0.015,-0.112,-0.111).
atm(m271,a5,c,car,4.843,0.709,-0.081,-0.065).
atm(m271,a6,c,car,4.844,2.104,-0.024,-0.157).
atm(m271,a7,c,c2,3.552,2.852,-0.019,0.376).
atm(m271,a8,o,o2,3.354,3.787,-0.771,-0.304).
atm(m271,a9,c,car,2.517,2.396,0.955,-0.159).
atm(m271,a10,c,car,2.879,2.092,2.269,-0.063).
atm(m271,a11,c,car,1.910,1.692,3.182,-0.112).
atm(m271,a12,c,car,0.580,1.588,2.787,-0.080).
atm(m271,a13,c,car,0.218,1.890,1.478,-0.113).
atm(m271,a14,c,car,1.181,2.299,0.563,-0.051).
atm(m271,a15,h,h,6.055,3.894,0.028,0.114).
atm(m271,a16,h,h,8.205,2.643,0.001,0.107).
atm(m271,a17,h,h,8.200,0.159,-0.101,0.104).
atm(m271,a18,h,h,6.044,-1.079,-0.163,0.107).
atm(m271,a19,h,h,3.891,0.167,-0.101,0.111).
atm(m271,a20,h,h,3.929,2.168,2.574,0.111).
atm(m271,a21,h,h,2.196,1.459,4.213,0.107).
atm(m271,a22,h,h,-0.181,1.270,3.507,0.104).
atm(m271,a23,h,h,-0.830,1.811,1.168,0.107).
atm(m271,a24,h,h,0.894,2.553,-0.464,0.115).
bond(m271,a1,a2,ar).
bond(m271,a1,a6,ar).
bond(m271,a1,a15,1).
bond(m271,a2,a3,ar).
bond(m271,a2,a16,1).
bond(m271,a3,a4,ar).
bond(m271,a3,a17,1).
bond(m271,a4,a5,ar).
bond(m271,a4,a18,1).
bond(m271,a5,a6,ar).
bond(m271,a5,a19,1).
bond(m271,a6,a7,1).
bond(m271,a7,a8,2).
bond(m271,a7,a9,1).
bond(m271,a9,a10,ar).
bond(m271,a9,a14,ar).
bond(m271,a10,a11,ar).
bond(m271,a10,a20,1).
bond(m271,a11,a12,ar).
bond(m271,a11,a21,1).
bond(m271,a12,a13,ar).
bond(m271,a12,a22,1).
bond(m271,a13,a14,ar).
bond(m271,a13,a23,1).
bond(m271,a14,a24,1).
atm(m272,a1,c,car,2.102,0.000,0.000,-0.125).
atm(m272,a2,c,car,0.795,-0.358,-0.303,-0.082).
atm(m272,a3,c,car,0.006,0.463,-1.102,-0.121).
atm(m272,a4,c,car,0.533,1.648,-1.603,-0.078).
atm(m272,a5,c,car,1.838,2.019,-1.304,-0.145).
atm(m272,a6,c,car,2.634,1.201,-0.495,-0.049).
atm(m272,a7,n,npl3,4.023,1.501,-0.194,-0.004).
atm(m272,a8,c,c3,4.670,2.591,-0.981,-0.109).
atm(m272,a9,c,c3,6.009,2.086,-1.537,0.060).
atm(m272,a10,o,o3,6.614,3.175,-2.197,-0.313).
atm(m272,a11,c,c3,4.329,1.583,1.269,-0.130).
atm(m272,a12,c,c3,5.616,0.809,1.596,0.056).
atm(m272,a13,o,o3,5.452,-0.582,1.580,-0.313).
atm(m272,a14,h,h,2.709,-0.666,0.627,0.116).
atm(m272,a15,h,h,0.385,-1.295,0.087,0.103).
atm(m272,a16,h,h,-1.024,0.176,-1.338,0.105).
atm(m272,a17,h,h,-0.082,2.296,-2.237,0.102).
atm(m272,a18,h,h,2.247,2.950,-1.723,0.117).
atm(m272,a19,h,h,4.012,2.920,-1.817,0.076).
atm(m272,a20,h,h,4.829,3.496,-0.354,0.060).
atm(m272,a21,h,h,6.666,1.721,-0.713,0.034).
atm(m272,a22,h,h,5.859,1.241,-2.237,0.032).
atm(m272,a23,h,h,7.399,2.838,-2.605,0.188).
atm(m272,a24,h,h,4.453,2.641,1.586,0.056).
atm(m272,a25,h,h,3.481,1.181,1.861,0.077).
atm(m272,a26,h,h,6.445,1.109,0.914,0.039).
atm(m272,a27,h,h,5.938,1.010,2.632,0.055).
atm(m272,a28,h,h,5.136,-0.820,0.717,0.192).
bond(m272,a1,a2,ar).
bond(m272,a1,a6,ar).
bond(m272,a1,a14,1).
bond(m272,a2,a3,ar).
bond(m272,a2,a15,1).
bond(m272,a3,a4,ar).
bond(m272,a3,a16,1).
bond(m272,a4,a5,ar).
bond(m272,a4,a17,1).
bond(m272,a5,a6,ar).
bond(m272,a5,a18,1).
bond(m272,a6,a7,1).
bond(m272,a7,a8,1).
bond(m272,a7,a11,1).
bond(m272,a8,a9,1).
bond(m272,a8,a19,1).
bond(m272,a8,a20,1).
bond(m272,a9,a10,1).
bond(m272,a9,a21,1).
bond(m272,a9,a22,1).
bond(m272,a10,a23,1).
bond(m272,a11,a12,1).
bond(m272,a11,a24,1).
bond(m272,a11,a25,1).
bond(m272,a12,a13,1).
bond(m272,a12,a26,1).
bond(m272,a12,a27,1).
bond(m272,a13,a28,1).
atm(m273,a1,c,car,2.792,2.423,0.000,-0.025).
atm(m273,a2,c,car,4.176,2.434,-0.002,-0.174).
atm(m273,a3,c,car,4.894,1.224,-0.017,0.002).
atm(m273,a4,c,car,4.185,0.014,-0.023,-0.184).
atm(m273,a5,n,npl3,6.330,1.266,0.056,0.009).
atm(m273,a6,c,c3,7.069,-0.030,0.088,-0.085).
atm(m273,a7,c,c3,7.445,-0.397,1.511,-0.117).
atm(m273,a8,c,c3,7.001,2.302,-0.787,-0.075).
atm(m273,a9,c,c3,7.270,3.568,0.004,-0.123).
atm(m273,a10,c,car,2.088,1.215,-0.010,-0.240).
atm(m273,a11,c,car,2.797,0.013,-0.019,0.000).
atm(m273,a12,c,c2,0.609,1.245,-0.008,0.334).
atm(m273,a13,o,o2,-0.088,0.254,-0.029,-0.326).
atm(m273,a14,h,h,2.243,3.372,0.014,0.100).
atm(m273,a15,h,h,4.715,3.396,0.025,0.126).
atm(m273,a16,h,h,4.727,-0.944,-0.033,0.121).
atm(m273,a17,h,h,6.470,-0.850,-0.369,0.057).
atm(m273,a18,h,h,7.983,0.080,-0.538,0.056).
atm(m273,a19,h,h,6.559,-0.562,2.139,0.048).
atm(m273,a20,h,h,8.035,-1.322,1.525,0.040).
atm(m273,a21,h,h,8.047,0.385,1.994,0.048).
atm(m273,a22,h,h,7.957,1.868,-1.158,0.056).
atm(m273,a23,h,h,6.394,2.536,-1.686,0.051).
atm(m273,a24,h,h,7.834,4.289,-0.601,0.042).
atm(m273,a25,h,h,6.328,4.054,0.310,0.048).
atm(m273,a26,h,h,7.851,3.374,0.915,0.051).
atm(m273,a27,h,h,2.252,-0.939,-0.025,0.117).
atm(m273,a28,h,h,0.140,2.244,0.014,0.042).
bond(m273,a1,a2,ar).
bond(m273,a1,a10,ar).
bond(m273,a1,a14,1).
bond(m273,a2,a3,ar).
bond(m273,a2,a15,1).
bond(m273,a3,a4,ar).
bond(m273,a3,a5,1).
bond(m273,a4,a11,ar).
bond(m273,a4,a16,1).
bond(m273,a5,a6,1).
bond(m273,a5,a8,1).
bond(m273,a6,a7,1).
bond(m273,a6,a17,1).
bond(m273,a6,a18,1).
bond(m273,a7,a19,1).
bond(m273,a7,a20,1).
bond(m273,a7,a21,1).
bond(m273,a8,a9,1).
bond(m273,a8,a22,1).
bond(m273,a8,a23,1).
bond(m273,a9,a24,1).
bond(m273,a9,a25,1).
bond(m273,a9,a26,1).
bond(m273,a10,a11,ar).
bond(m273,a10,a12,1).
bond(m273,a11,a27,1).
bond(m273,a12,a13,2).
bond(m273,a12,a28,1).
atm(m274,a1,o,o3,0.000,1.215,0.000,-0.223).
atm(m274,a2,c,car,1.306,1.174,-0.407,0.074).
atm(m274,a3,c,car,2.255,2.190,-0.160,0.010).
atm(m274,a4,o,o3,1.825,3.293,0.539,-0.244).
atm(m274,a5,c,car,3.568,2.049,-0.621,-0.151).
atm(m274,a6,c,car,3.931,0.905,-1.321,-0.104).
atm(m274,a7,c,car,2.998,-0.097,-1.566,-0.100).
atm(m274,a8,c,car,1.689,0.028,-1.114,-0.117).
atm(m274,a9,h,h,-0.147,2.029,0.465,0.208).
atm(m274,a10,h,h,2.565,3.880,0.623,0.208).
atm(m274,a11,h,h,4.311,2.833,-0.433,0.108).
atm(m274,a12,h,h,4.958,0.795,-1.682,0.105).
atm(m274,a13,h,h,3.294,-0.995,-2.118,0.105).
atm(m274,a14,h,h,0.957,-0.765,-1.309,0.121).
bond(m274,a1,a2,1).
bond(m274,a1,a9,1).
bond(m274,a2,a3,ar).
bond(m274,a2,a8,ar).
bond(m274,a3,a4,1).
bond(m274,a3,a5,ar).
bond(m274,a4,a10,1).
bond(m274,a5,a6,ar).
bond(m274,a5,a11,1).
bond(m274,a6,a7,ar).
bond(m274,a6,a12,1).
bond(m274,a7,a8,ar).
bond(m274,a7,a13,1).
bond(m274,a8,a14,1).
atm(m275,a1,cl,cl,4.852,2.800,0.000,0.100).
atm(m275,a2,c,car,3.397,1.962,0.000,-0.141).
atm(m275,a3,c,car,3.400,0.566,-0.001,-0.126).
atm(m275,a4,cl,cl,4.858,-0.268,-0.001,0.101).
atm(m275,a5,c,car,2.199,-0.139,-0.001,-0.096).
atm(m275,a6,c,car,1.002,0.571,-0.001,-0.119).
atm(m275,a7,cl,cl,-0.457,-0.269,-0.001,0.079).
atm(m275,a8,c,car,0.990,1.966,0.000,-0.094).
atm(m275,a9,c,car,2.192,2.662,0.000,-0.079).
atm(m275,a10,h,h,2.198,-1.235,-0.001,0.131).
atm(m275,a11,h,h,0.036,2.504,0.000,0.121).
atm(m275,a12,h,h,2.201,3.758,0.000,0.121).
bond(m275,a1,a2,1).
bond(m275,a2,a3,ar).
bond(m275,a2,a9,ar).
bond(m275,a3,a4,1).
bond(m275,a3,a5,ar).
bond(m275,a5,a6,ar).
bond(m275,a5,a10,1).
bond(m275,a6,a7,1).
bond(m275,a6,a8,ar).
bond(m275,a8,a9,ar).
bond(m275,a8,a11,1).
bond(m275,a9,a12,1).
atm(m276,a1,o,o3,4.852,2.800,0.000,-0.218).
atm(m276,a2,c,car,3.649,2.158,0.000,0.108).
atm(m276,a3,c,car,3.514,0.760,0.000,-0.214).
atm(m276,a4,cl,cl,4.881,-0.231,0.001,0.078).
atm(m276,a5,c,car,2.249,0.179,0.000,-0.060).
atm(m276,a6,c,car,1.128,1.001,0.000,-0.158).
atm(m276,a7,cl,cl,-0.408,0.306,0.000,0.073).
atm(m276,a8,c,car,1.251,2.391,0.000,-0.063).
atm(m276,a9,c,car,2.509,2.976,0.000,-0.124).
atm(m276,a10,h,h,5.540,2.143,0.000,0.204).
atm(m276,a11,h,h,2.143,-0.911,0.001,0.128).
atm(m276,a12,h,h,0.351,3.016,-0.001,0.118).
atm(m276,a13,h,h,2.615,4.067,-0.001,0.127).
bond(m276,a1,a2,1).
bond(m276,a1,a10,1).
bond(m276,a2,a3,ar).
bond(m276,a2,a9,ar).
bond(m276,a3,a4,1).
bond(m276,a3,a5,ar).
bond(m276,a5,a6,ar).
bond(m276,a5,a11,1).
bond(m276,a6,a7,1).
bond(m276,a6,a8,ar).
bond(m276,a8,a9,ar).
bond(m276,a8,a12,1).
bond(m276,a9,a13,1).
atm(m277,a1,c,c3,6.066,4.202,0.000,-0.155).
atm(m277,a2,c,car,4.769,3.479,0.000,0.108).
atm(m277,a3,c,car,4.649,2.077,0.000,-0.437).
atm(m277,a4,n,n4,5.843,1.162,-0.001,1.311).
atm(m277,a5,o,oco2,6.968,1.627,-0.002,-0.596).
atm(m277,a6,o,oco2,5.667,-0.038,0.000,-0.582).
atm(m277,a7,c,car,3.375,1.489,0.001,0.081).
atm(m277,a8,c,car,2.229,2.281,0.002,-0.442).
atm(m277,a9,n,n4,0.867,1.646,0.002,1.311).
atm(m277,a10,o,oco2,-0.115,2.359,0.003,-0.594).
atm(m277,a11,o,oco2,0.777,0.436,0.002,-0.587).
atm(m277,a12,c,car,2.347,3.679,0.002,0.050).
atm(m277,a13,c,car,3.603,4.257,0.001,-0.162).
atm(m277,a14,h,h,6.934,3.514,-0.002,0.123).
atm(m277,a15,h,h,6.144,4.848,-0.885,0.070).
atm(m277,a16,h,h,6.146,4.845,0.887,0.071).
atm(m277,a17,h,h,3.275,0.387,0.001,0.162).
atm(m277,a18,h,h,1.453,4.320,0.002,0.138).
atm(m277,a19,h,h,3.697,5.351,0.001,0.129).
bond(m277,a1,a2,1).
bond(m277,a1,a14,1).
bond(m277,a1,a15,1).
bond(m277,a1,a16,1).
bond(m277,a2,a3,ar).
bond(m277,a2,a13,ar).
bond(m277,a3,a4,1).
bond(m277,a3,a7,ar).
bond(m277,a4,a5,2).
bond(m277,a4,a6,1).
bond(m277,a7,a8,ar).
bond(m277,a7,a17,1).
bond(m277,a8,a9,1).
bond(m277,a8,a12,ar).
bond(m277,a9,a10,2).
bond(m277,a9,a11,1).
bond(m277,a12,a13,ar).
bond(m277,a12,a18,1).
bond(m277,a13,a19,1).
atm(m278,a1,o,o2,8.493,0.696,0.000,-0.321).
atm(m278,a2,c,c2,7.442,0.095,0.000,0.331).
atm(m278,a3,c,car,6.114,0.756,0.000,-0.204).
atm(m278,a4,c,car,4.972,-0.043,0.000,-0.073).
atm(m278,a5,c,car,3.692,0.533,0.000,0.056).
atm(m278,a6,o,o3,2.703,-0.426,-0.001,-0.191).
atm(m278,a7,c,c3,1.334,-0.038,0.000,0.062).
atm(m278,a8,c,c3,0.531,-1.332,0.000,-0.125).
atm(m278,a9,c,car,3.579,1.941,0.000,0.066).
atm(m278,a10,o,o3,2.336,2.518,0.000,-0.234).
atm(m278,a11,c,car,4.738,2.733,0.001,-0.182).
atm(m278,a12,c,car,5.993,2.146,0.001,-0.032).
atm(m278,a13,h,h,7.440,-1.009,0.000,0.046).
atm(m278,a14,h,h,5.074,-1.138,-0.001,0.121).
atm(m278,a15,h,h,1.114,0.570,0.897,0.047).
atm(m278,a16,h,h,1.113,0.571,-0.896,0.047).
atm(m278,a17,h,h,1.164,-2.232,-0.002,0.060).
atm(m278,a18,h,h,-0.116,-1.399,0.884,0.043).
atm(m278,a19,h,h,-0.118,-1.398,-0.883,0.043).
atm(m278,a20,h,h,2.456,3.460,0.001,0.205).
atm(m278,a21,h,h,4.655,3.827,0.001,0.113).
atm(m278,a22,h,h,6.893,2.773,0.001,0.122).
bond(m278,a1,a2,2).
bond(m278,a2,a3,1).
bond(m278,a2,a13,1).
bond(m278,a3,a4,ar).
bond(m278,a3,a12,ar).
bond(m278,a4,a5,ar).
bond(m278,a4,a14,1).
bond(m278,a5,a6,1).
bond(m278,a5,a9,ar).
bond(m278,a6,a7,1).
bond(m278,a7,a8,1).
bond(m278,a7,a15,1).
bond(m278,a7,a16,1).
bond(m278,a8,a17,1).
bond(m278,a8,a18,1).
bond(m278,a8,a19,1).
bond(m278,a9,a10,1).
bond(m278,a9,a11,ar).
bond(m278,a10,a20,1).
bond(m278,a11,a12,ar).
bond(m278,a11,a21,1).
bond(m278,a12,a22,1).
atm(m279,a1,c,car,4.848,0.698,0.000,-0.202).
atm(m279,a2,c,c2,6.122,-0.063,-0.001,0.331).
atm(m279,a3,o,o2,7.215,0.457,0.000,-0.320).
atm(m279,a4,c,car,3.648,-0.014,-0.001,-0.074).
atm(m279,a5,c,car,2.419,0.662,0.000,0.056).
atm(m279,a6,o,o3,1.345,-0.203,-0.002,-0.186).
atm(m279,a7,c,c3,0.032,0.304,-0.001,0.025).
atm(m279,a8,c,car,2.414,2.075,0.001,0.062).
atm(m279,a9,o,o3,1.211,2.733,0.002,-0.231).
atm(m279,a10,c,car,3.627,2.777,0.002,-0.179).
atm(m279,a11,c,car,4.834,2.093,0.002,-0.033).
atm(m279,a12,h,h,6.035,-1.163,-0.002,0.047).
atm(m279,a13,h,h,3.665,-1.112,-0.002,0.122).
atm(m279,a14,h,h,-0.054,1.402,-0.002,0.077).
atm(m279,a15,h,h,-0.446,-0.106,-0.896,0.035).
atm(m279,a16,h,h,-0.446,-0.105,0.894,0.035).
atm(m279,a17,h,h,1.389,3.666,0.003,0.203).
atm(m279,a18,h,h,3.629,3.874,0.003,0.113).
atm(m279,a19,h,h,5.780,2.648,0.002,0.122).
bond(m279,a1,a2,1).
bond(m279,a1,a4,ar).
bond(m279,a1,a11,ar).
bond(m279,a2,a3,2).
bond(m279,a2,a12,1).
bond(m279,a4,a5,ar).
bond(m279,a4,a13,1).
bond(m279,a5,a6,1).
bond(m279,a5,a8,ar).
bond(m279,a6,a7,1).
bond(m279,a7,a14,1).
bond(m279,a7,a15,1).
bond(m279,a7,a16,1).
bond(m279,a8,a9,1).
bond(m279,a8,a10,ar).
bond(m279,a9,a17,1).
bond(m279,a10,a11,ar).
bond(m279,a10,a18,1).
bond(m279,a11,a19,1).
atm(m27,a1,o,o3,4.852,0.000,0.000,-0.225).
atm(m27,a2,c,car,3.647,0.647,0.000,0.104).
atm(m27,a3,c,car,2.511,-0.173,0.001,-0.137).
atm(m27,a4,c,car,1.246,0.409,0.000,-0.029).
atm(m27,a5,c,c3,0.026,-0.436,0.002,-0.076).
atm(m27,a6,c,car,1.138,1.805,-0.001,-0.169).
atm(m27,a7,cl,cl,-0.385,2.534,-0.001,0.064).
atm(m27,a8,c,car,2.268,2.617,-0.002,-0.055).
atm(m27,a9,c,car,3.533,2.044,-0.002,-0.192).
atm(m27,a10,h,h,5.537,0.657,0.000,0.198).
atm(m27,a11,h,h,2.618,-1.265,0.002,0.127).
atm(m27,a12,h,h,0.262,-1.508,0.003,0.050).
atm(m27,a13,h,h,-0.589,-0.226,0.887,0.056).
atm(m27,a14,h,h,-0.590,-0.228,-0.884,0.056).
atm(m27,a15,h,h,2.155,3.706,-0.003,0.114).
atm(m27,a16,h,h,4.423,2.684,-0.003,0.114).
bond(m27,a1,a2,1).
bond(m27,a1,a10,1).
bond(m27,a2,a3,ar).
bond(m27,a2,a9,ar).
bond(m27,a3,a4,ar).
bond(m27,a3,a11,1).
bond(m27,a4,a5,1).
bond(m27,a4,a6,ar).
bond(m27,a5,a12,1).
bond(m27,a5,a13,1).
bond(m27,a5,a14,1).
bond(m27,a6,a7,1).
bond(m27,a6,a8,ar).
bond(m27,a8,a9,ar).
bond(m27,a8,a15,1).
bond(m27,a9,a16,1).
atm(m280,a1,c,c3,0.000,0.000,0.000,-0.075).
atm(m280,a2,n,npl3,0.731,1.276,0.000,0.003).
atm(m280,a3,c,c3,-0.115,2.479,0.000,-0.075).
atm(m280,a4,c,car,2.149,1.342,-0.001,0.012).
atm(m280,a5,c,car,2.810,2.583,-0.001,-0.191).
atm(m280,a6,c,car,4.196,2.639,-0.002,-0.053).
atm(m280,a7,c,car,4.952,1.471,-0.003,-0.163).
atm(m280,a8,c,car,4.307,0.239,-0.002,-0.053).
atm(m280,a9,c,car,2.922,0.166,-0.002,-0.191).
atm(m280,a10,h,h,0.686,-0.861,-0.002,0.060).
atm(m280,a11,h,h,-0.641,-0.075,0.891,0.035).
atm(m280,a12,h,h,-0.644,-0.073,-0.888,0.035).
atm(m280,a13,h,h,0.489,3.400,0.000,0.060).
atm(m280,a14,h,h,-0.761,2.493,-0.890,0.035).
atm(m280,a15,h,h,-0.761,2.493,0.890,0.035).
atm(m280,a16,h,h,2.234,3.520,-0.001,0.114).
atm(m280,a17,h,h,4.697,3.612,-0.002,0.097).
atm(m280,a18,h,h,6.045,1.522,-0.003,0.105).
atm(m280,a19,h,h,4.896,-0.684,-0.003,0.097).
atm(m280,a20,h,h,2.434,-0.819,-0.002,0.114).
bond(m280,a1,a2,1).
bond(m280,a1,a10,1).
bond(m280,a1,a11,1).
bond(m280,a1,a12,1).
bond(m280,a2,a3,1).
bond(m280,a2,a4,1).
bond(m280,a3,a13,1).
bond(m280,a3,a14,1).
bond(m280,a3,a15,1).
bond(m280,a4,a5,ar).
bond(m280,a4,a9,ar).
bond(m280,a5,a6,ar).
bond(m280,a5,a16,1).
bond(m280,a6,a7,ar).
bond(m280,a6,a17,1).
bond(m280,a7,a8,ar).
bond(m280,a7,a18,1).
bond(m280,a8,a9,ar).
bond(m280,a8,a19,1).
bond(m280,a9,a20,1).
atm(m281,a1,cl,cl,0.000,3.632,0.000,0.097).
atm(m281,a2,c,car,0.844,2.175,0.000,-0.157).
atm(m281,a3,c,car,2.235,2.192,0.000,-0.012).
atm(m281,a4,c,car,2.933,0.979,0.001,-0.396).
atm(m281,a5,n,n4,4.432,0.979,0.001,1.306).
atm(m281,a6,o,oco2,5.027,-0.081,0.001,-0.597).
atm(m281,a7,o,oco2,5.029,2.037,0.001,-0.595).
atm(m281,a8,c,car,2.231,-0.232,0.001,-0.011).
atm(m281,a9,c,car,0.840,-0.228,0.001,-0.110).
atm(m281,a10,c,car,0.139,0.972,0.000,-0.044).
atm(m281,a11,h,h,2.764,3.156,0.000,0.146).
atm(m281,a12,h,h,2.767,-1.191,0.001,0.135).
atm(m281,a13,h,h,0.294,-1.178,0.001,0.118).
atm(m281,a14,h,h,-0.957,0.982,0.000,0.121).
bond(m281,a1,a2,1).
bond(m281,a2,a3,ar).
bond(m281,a2,a10,ar).
bond(m281,a3,a4,ar).
bond(m281,a3,a11,1).
bond(m281,a4,a5,1).
bond(m281,a4,a8,ar).
bond(m281,a5,a6,2).
bond(m281,a5,a7,1).
bond(m281,a8,a9,ar).
bond(m281,a8,a12,1).
bond(m281,a9,a10,ar).
bond(m281,a9,a13,1).
bond(m281,a10,a14,1).
atm(m282,a1,c,c3,4.835,0.000,0.000,0.073).
atm(m282,a2,o,o3,6.148,0.457,-0.048,-0.499).
atm(m282,a3,p,p3,6.485,2.114,0.153,1.581).
atm(m282,a4,o,o3,8.145,1.750,0.067,-0.487).
atm(m282,a5,c,c3,9.055,2.787,-0.120,0.083).
atm(m282,a6,s,s2,5.687,3.420,-1.019,-0.662).
atm(m282,a7,s,s3,6.215,2.531,2.291,-0.386).
atm(m282,a8,c,c3,4.583,3.356,2.603,-0.114).
atm(m282,a9,c,c3,4.761,4.286,3.798,-0.095).
atm(m282,a10,c,c2,3.612,5.272,3.915,0.365).
atm(m282,a11,o,o2,2.709,5.250,4.726,-0.365).
atm(m282,a12,o,o3,3.678,6.275,2.996,-0.266).
atm(m282,a13,c,c3,2.637,7.256,2.980,0.081).
atm(m282,a14,c,c3,2.955,8.196,1.834,-0.126).
atm(m282,a15,c,c2,3.487,2.312,2.810,0.369).
atm(m282,a16,o,o2,2.625,2.053,1.992,-0.371).
atm(m282,a17,o,o3,3.514,1.656,4.003,-0.239).
atm(m282,a18,c,c3,2.715,0.487,4.165,0.078).
atm(m282,a19,c,c3,3.355,-0.727,3.517,-0.154).
atm(m282,a20,h,h,4.888,-0.999,-0.445,0.057).
atm(m282,a21,h,h,4.473,-0.085,1.040,0.037).
atm(m282,a22,h,h,4.153,0.630,-0.584,0.039).
atm(m282,a23,h,h,9.968,2.280,-0.448,0.057).
atm(m282,a24,h,h,8.725,3.496,-0.891,0.038).
atm(m282,a25,h,h,9.243,3.315,0.822,0.031).
atm(m282,a26,h,h,4.317,3.964,1.699,0.133).
atm(m282,a27,h,h,4.851,3.713,4.744,0.106).
atm(m282,a28,h,h,5.716,4.845,3.693,0.101).
atm(m282,a29,h,h,1.658,6.760,2.842,0.050).
atm(m282,a30,h,h,2.616,7.786,3.951,0.047).
atm(m282,a31,h,h,2.985,7.675,0.868,0.054).
atm(m282,a32,h,h,2.186,8.976,1.767,0.049).
atm(m282,a33,h,h,3.924,8.696,1.965,0.049).
atm(m282,a34,h,h,2.695,0.411,5.266,0.062).
atm(m282,a35,h,h,1.679,0.647,3.810,0.062).
atm(m282,a36,h,h,3.552,-0.570,2.441,0.054).
atm(m282,a37,h,h,4.315,-0.984,3.984,0.054).
atm(m282,a38,h,h,2.696,-1.599,3.611,0.053).
bond(m282,a1,a2,1).
bond(m282,a1,a20,1).
bond(m282,a1,a21,1).
bond(m282,a1,a22,1).
bond(m282,a2,a3,1).
bond(m282,a3,a4,1).
bond(m282,a3,a6,2).
bond(m282,a3,a7,1).
bond(m282,a4,a5,1).
bond(m282,a5,a23,1).
bond(m282,a5,a24,1).
bond(m282,a5,a25,1).
bond(m282,a7,a8,1).
bond(m282,a8,a9,1).
bond(m282,a8,a15,1).
bond(m282,a8,a26,1).
bond(m282,a9,a10,1).
bond(m282,a9,a27,1).
bond(m282,a9,a28,1).
bond(m282,a10,a11,2).
bond(m282,a10,a12,1).
bond(m282,a12,a13,1).
bond(m282,a13,a14,1).
bond(m282,a13,a29,1).
bond(m282,a13,a30,1).
bond(m282,a14,a31,1).
bond(m282,a14,a32,1).
bond(m282,a14,a33,1).
bond(m282,a15,a16,2).
bond(m282,a15,a17,1).
bond(m282,a17,a18,1).
bond(m282,a18,a19,1).
bond(m282,a18,a34,1).
bond(m282,a18,a35,1).
bond(m282,a19,a36,1).
bond(m282,a19,a37,1).
bond(m282,a19,a38,1).
atm(m283,a1,n,npl3,0.000,1.211,0.000,0.104).
atm(m283,a2,c,car,1.390,1.446,0.072,-0.013).
atm(m283,a3,c,car,1.917,2.731,-0.156,-0.217).
atm(m283,a4,cl,cl,0.886,4.049,-0.385,0.093).
atm(m283,a5,c,car,3.288,2.943,-0.193,0.031).
atm(m283,a6,c,car,4.164,1.869,0.001,-0.450).
atm(m283,a7,n,n4,5.639,2.089,-0.040,1.316).
atm(m283,a8,o,oco2,6.073,3.206,-0.244,-0.604).
atm(m283,a9,o,oco2,6.390,1.148,0.134,-0.605).
atm(m283,a10,c,car,3.648,0.585,0.234,0.031).
atm(m283,a11,c,car,2.281,0.376,0.274,-0.176).
atm(m283,a12,h,h,-0.546,2.016,0.212,0.049).
atm(m283,a13,h,h,-0.288,0.404,0.504,0.044).
atm(m283,a14,h,h,3.666,3.959,-0.377,0.142).
atm(m283,a15,h,h,4.325,-0.267,0.388,0.132).
atm(m283,a16,h,h,1.898,-0.636,0.460,0.123).
bond(m283,a1,a2,1).
bond(m283,a1,a12,1).
bond(m283,a1,a13,1).
bond(m283,a2,a3,ar).
bond(m283,a2,a11,ar).
bond(m283,a3,a4,1).
bond(m283,a3,a5,ar).
bond(m283,a5,a6,ar).
bond(m283,a5,a14,1).
bond(m283,a6,a7,1).
bond(m283,a6,a10,ar).
bond(m283,a7,a8,2).
bond(m283,a7,a9,1).
bond(m283,a10,a11,ar).
bond(m283,a10,a15,1).
bond(m283,a11,a16,1).
atm(m284,a1,c,car,4.904,1.212,0.000,-0.207).
atm(m284,a2,c,c2,6.387,1.188,-0.008,0.329).
atm(m284,a3,o,o2,7.078,2.183,0.002,-0.319).
atm(m284,a4,c,car,4.211,-0.001,-0.001,-0.050).
atm(m284,a5,c,car,2.824,-0.010,0.007,-0.125).
atm(m284,a6,c,car,2.108,1.190,0.014,-0.043).
atm(m284,a7,c,c3,0.604,1.181,-0.006,-0.034).
atm(m284,a8,c,c3,0.043,0.073,0.872,-0.118).
atm(m284,a9,c,c3,0.119,1.025,-1.441,-0.111).
atm(m284,a10,c,car,2.802,2.401,0.018,-0.118).
atm(m284,a11,c,car,4.192,2.412,0.011,-0.031).
atm(m284,a12,h,h,6.860,0.191,-0.025,0.044).
atm(m284,a13,h,h,4.763,-0.949,-0.007,0.103).
atm(m284,a14,h,h,2.260,-0.956,0.021,0.118).
atm(m284,a15,h,h,0.236,2.162,0.387,0.068).
atm(m284,a16,h,h,0.250,0.260,1.934,0.044).
atm(m284,a17,h,h,-1.043,-0.019,0.754,0.045).
atm(m284,a18,h,h,0.496,-0.900,0.616,0.045).
atm(m284,a19,h,h,0.509,1.825,-2.083,0.044).
atm(m284,a20,h,h,0.442,0.068,-1.873,0.043).
atm(m284,a21,h,h,-0.977,1.059,-1.495,0.042).
atm(m284,a22,h,h,2.250,3.348,0.026,0.111).
atm(m284,a23,h,h,4.734,3.366,0.014,0.119).
bond(m284,a1,a2,1).
bond(m284,a1,a4,ar).
bond(m284,a1,a11,ar).
bond(m284,a2,a3,2).
bond(m284,a2,a12,1).
bond(m284,a4,a5,ar).
bond(m284,a4,a13,1).
bond(m284,a5,a6,ar).
bond(m284,a5,a14,1).
bond(m284,a6,a7,1).
bond(m284,a6,a10,ar).
bond(m284,a7,a8,1).
bond(m284,a7,a9,1).
bond(m284,a7,a15,1).
bond(m284,a8,a16,1).
bond(m284,a8,a17,1).
bond(m284,a8,a18,1).
bond(m284,a9,a19,1).
bond(m284,a9,a20,1).
bond(m284,a9,a21,1).
bond(m284,a10,a11,ar).
bond(m284,a10,a22,1).
bond(m284,a11,a23,1).
atm(m285,a1,c,car,1.214,0.000,0.000,-0.139).
atm(m285,a2,c,car,0.005,0.683,-0.005,-0.081).
atm(m285,a3,c,car,-0.017,2.074,-0.001,-0.118).
atm(m285,a4,c,car,1.179,2.783,0.003,-0.084).
atm(m285,a5,c,car,2.396,2.111,0.001,-0.116).
atm(m285,a6,c,car,2.422,0.712,0.006,-0.073).
atm(m285,a7,n,npl3,3.675,-0.006,-0.091,0.108).
atm(m285,a8,c,car,4.649,0.137,0.967,-0.071).
atm(m285,a9,c,car,5.189,1.388,1.287,-0.120).
atm(m285,a10,c,car,6.191,1.488,2.244,-0.082).
atm(m285,a11,c,car,6.672,0.351,2.883,-0.121).
atm(m285,a12,c,car,6.145,-0.896,2.563,-0.080).
atm(m285,a13,c,car,5.138,-1.009,1.613,-0.142).
atm(m285,a14,h,h,1.208,-1.097,-0.005,0.107).
atm(m285,a15,h,h,-0.936,0.123,-0.011,0.102).
atm(m285,a16,h,h,-0.972,2.608,-0.003,0.105).
atm(m285,a17,h,h,1.166,3.878,0.002,0.102).
atm(m285,a18,h,h,3.335,2.685,0.001,0.119).
atm(m285,a19,h,h,3.500,-0.973,-0.268,0.049).
atm(m285,a20,h,h,4.823,2.297,0.786,0.119).
atm(m285,a21,h,h,6.607,2.471,2.492,0.102).
atm(m285,a22,h,h,7.463,0.436,3.635,0.105).
atm(m285,a23,h,h,6.523,-1.793,3.062,0.102).
atm(m285,a24,h,h,4.737,-2.002,1.375,0.107).
bond(m285,a1,a2,ar).
bond(m285,a1,a6,ar).
bond(m285,a1,a14,1).
bond(m285,a2,a3,ar).
bond(m285,a2,a15,1).
bond(m285,a3,a4,ar).
bond(m285,a3,a16,1).
bond(m285,a4,a5,ar).
bond(m285,a4,a17,1).
bond(m285,a5,a6,ar).
bond(m285,a5,a18,1).
bond(m285,a6,a7,1).
bond(m285,a7,a8,1).
bond(m285,a7,a19,1).
bond(m285,a8,a9,ar).
bond(m285,a8,a13,ar).
bond(m285,a9,a10,ar).
bond(m285,a9,a20,1).
bond(m285,a10,a11,ar).
bond(m285,a10,a21,1).
bond(m285,a11,a12,ar).
bond(m285,a11,a22,1).
bond(m285,a12,a13,ar).
bond(m285,a12,a23,1).
bond(m285,a13,a24,1).
atm(m286,a1,c,car,1.212,0.000,0.000,-0.149).
atm(m286,a2,c,car,0.014,0.695,0.000,-0.065).
atm(m286,a3,c,car,0.005,2.089,-0.001,-0.142).
atm(m286,a4,c,car,1.206,2.784,-0.001,-0.059).
atm(m286,a5,c,car,2.421,2.106,-0.001,-0.207).
atm(m286,a6,c,car,2.430,0.710,0.000,0.108).
atm(m286,a7,o,o3,3.506,-0.148,0.001,-0.197).
atm(m286,a8,c,c3,4.867,0.227,-0.001,0.030).
atm(m286,a9,c,c3,5.308,1.692,-0.002,0.030).
atm(m286,a10,o,o3,6.700,1.873,-0.002,-0.306).
atm(m286,a11,h,h,1.210,-1.097,0.000,0.120).
atm(m286,a12,h,h,-0.933,0.144,0.000,0.101).
atm(m286,a13,h,h,-0.946,2.631,-0.001,0.107).
atm(m286,a14,h,h,1.204,3.879,-0.001,0.101).
atm(m286,a15,h,h,3.356,2.686,-0.001,0.131).
atm(m286,a16,h,h,5.260,-0.297,0.892,0.048).
atm(m286,a17,h,h,5.258,-0.297,-0.894,0.048).
atm(m286,a18,h,h,4.923,2.234,-0.889,0.054).
atm(m286,a19,h,h,4.923,2.235,0.886,0.054).
atm(m286,a20,h,h,7.121,1.023,-0.003,0.191).
bond(m286,a1,a2,ar).
bond(m286,a1,a6,ar).
bond(m286,a1,a11,1).
bond(m286,a2,a3,ar).
bond(m286,a2,a12,1).
bond(m286,a3,a4,ar).
bond(m286,a3,a13,1).
bond(m286,a4,a5,ar).
bond(m286,a4,a14,1).
bond(m286,a5,a6,ar).
bond(m286,a5,a15,1).
bond(m286,a6,a7,1).
bond(m286,a7,a8,1).
bond(m286,a8,a9,1).
bond(m286,a8,a16,1).
bond(m286,a8,a17,1).
bond(m286,a9,a10,1).
bond(m286,a9,a18,1).
bond(m286,a9,a19,1).
bond(m286,a10,a20,1).
atm(m287,a1,o,o3,6.288,1.207,0.000,-0.228).
atm(m287,a2,c,car,4.922,1.288,0.032,0.092).
atm(m287,a3,c,car,4.226,0.123,-0.316,-0.140).
atm(m287,a4,c,car,2.838,0.136,-0.306,-0.065).
atm(m287,a5,c,car,2.139,1.293,0.046,-0.117).
atm(m287,a6,c,c3,0.644,1.305,0.015,-0.043).
atm(m287,a7,c,c3,0.039,2.121,1.137,-0.115).
atm(m287,a8,c,car,2.846,2.444,0.396,-0.068).
atm(m287,a9,c,car,4.234,2.454,0.393,-0.188).
atm(m287,a10,h,h,6.635,2.053,0.255,0.196).
atm(m287,a11,h,h,4.771,-0.786,-0.593,0.121).
atm(m287,a12,h,h,2.288,-0.772,-0.577,0.104).
atm(m287,a13,h,h,0.324,1.712,-0.966,0.053).
atm(m287,a14,h,h,0.252,0.269,0.050,0.053).
atm(m287,a15,h,h,0.506,3.119,1.194,0.043).
atm(m287,a16,h,h,-1.039,2.261,0.994,0.040).
atm(m287,a17,h,h,0.184,1.641,2.113,0.042).
atm(m287,a18,h,h,2.278,3.340,0.689,0.111).
atm(m287,a19,h,h,4.775,3.366,0.670,0.110).
bond(m287,a1,a2,1).
bond(m287,a1,a10,1).
bond(m287,a2,a3,ar).
bond(m287,a2,a9,ar).
bond(m287,a3,a4,ar).
bond(m287,a3,a11,1).
bond(m287,a4,a5,ar).
bond(m287,a4,a12,1).
bond(m287,a5,a6,1).
bond(m287,a5,a8,ar).
bond(m287,a6,a7,1).
bond(m287,a6,a13,1).
bond(m287,a6,a14,1).
bond(m287,a7,a15,1).
bond(m287,a7,a16,1).
bond(m287,a7,a17,1).
bond(m287,a8,a9,ar).
bond(m287,a8,a18,1).
bond(m287,a9,a19,1).
atm(m288,a1,c,c3,2.797,2.425,0.000,-0.116).
atm(m288,a2,c,c3,2.059,1.098,0.010,-0.160).
atm(m288,a3,c,c2,0.567,1.383,0.093,0.277).
atm(m288,a4,o,o2,-0.206,1.103,-0.793,-0.310).
atm(m288,a5,c,c3,2.454,0.221,1.202,-0.091).
atm(m288,a6,c,c3,3.732,-0.574,0.974,-0.094).
atm(m288,a7,c,c3,4.986,0.223,1.254,-0.122).
atm(m288,a8,h,h,3.888,2.266,0.004,0.057).
atm(m288,a9,h,h,2.550,3.013,-0.892,0.046).
atm(m288,a10,h,h,2.553,3.036,0.880,0.041).
atm(m288,a11,h,h,2.293,0.549,-0.936,0.091).
atm(m288,a12,h,h,0.208,1.871,1.014,0.046).
atm(m288,a13,h,h,2.548,0.842,2.115,0.056).
atm(m288,a14,h,h,1.629,-0.491,1.408,0.050).
atm(m288,a15,h,h,3.720,-1.470,1.627,0.048).
atm(m288,a16,h,h,3.757,-0.967,-0.063,0.054).
atm(m288,a17,h,h,5.888,-0.370,1.056,0.041).
atm(m288,a18,h,h,5.039,1.127,0.625,0.047).
atm(m288,a19,h,h,5.032,0.554,2.300,0.039).
bond(m288,a1,a2,1).
bond(m288,a1,a8,1).
bond(m288,a1,a9,1).
bond(m288,a1,a10,1).
bond(m288,a2,a3,1).
bond(m288,a2,a5,1).
bond(m288,a2,a11,1).
bond(m288,a3,a4,2).
bond(m288,a3,a12,1).
bond(m288,a5,a6,1).
bond(m288,a5,a13,1).
bond(m288,a5,a14,1).
bond(m288,a6,a7,1).
bond(m288,a6,a15,1).
bond(m288,a6,a16,1).
bond(m288,a7,a17,1).
bond(m288,a7,a18,1).
bond(m288,a7,a19,1).
atm(m289,a1,c,c3,4.852,0.000,0.000,-0.174).
atm(m289,a2,c,c2,3.533,0.736,0.000,0.277).
atm(m289,a3,o,o2,3.481,1.947,0.002,-0.273).
atm(m289,a4,c,c3,2.333,-0.186,-0.002,-0.209).
atm(m289,a5,c,c2,0.939,0.405,-0.001,0.279).
atm(m289,a6,o,o2,0.690,1.591,0.000,-0.278).
atm(m289,a7,c,c3,-0.164,-0.629,-0.002,-0.175).
atm(m289,a8,h,h,5.714,0.680,0.002,0.070).
atm(m289,a9,h,h,4.936,-0.644,0.885,0.059).
atm(m289,a10,h,h,4.938,-0.640,-0.888,0.059).
atm(m289,a11,h,h,2.417,-0.848,-0.889,0.087).
atm(m289,a12,h,h,2.417,-0.851,0.883,0.087).
atm(m289,a13,h,h,0.221,-1.657,-0.004,0.050).
atm(m289,a14,h,h,-0.805,-0.517,0.882,0.069).
atm(m289,a15,h,h,-0.806,-0.514,-0.885,0.069).
bond(m289,a1,a2,1).
bond(m289,a1,a8,1).
bond(m289,a1,a9,1).
bond(m289,a1,a10,1).
bond(m289,a2,a3,2).
bond(m289,a2,a4,1).
bond(m289,a4,a5,1).
bond(m289,a4,a11,1).
bond(m289,a4,a12,1).
bond(m289,a5,a6,2).
bond(m289,a5,a7,1).
bond(m289,a7,a13,1).
bond(m289,a7,a14,1).
bond(m289,a7,a15,1).
atm(m28,a1,c,car,4.643,2.099,0.000,-0.089).
atm(m28,a2,c,car,5.839,2.794,-0.139,-0.100).
atm(m28,a3,c,car,7.053,2.139,0.038,-0.100).
atm(m28,a4,c,car,7.070,0.785,0.352,-0.101).
atm(m28,a5,c,car,5.877,0.085,0.493,-0.104).
atm(m28,a6,c,car,4.657,0.740,0.319,-0.094).
atm(m28,a7,c,c3,3.368,-0.010,0.459,0.007).
atm(m28,a8,c,c2,2.845,0.084,1.856,-0.066).
atm(m28,a9,n,n2,1.718,0.641,2.207,-0.176).
atm(m28,a10,c,c3,1.528,0.568,3.671,-0.057).
atm(m28,a11,c,c3,2.788,-0.132,4.207,-0.116).
atm(m28,a12,n,npl3,3.536,-0.523,2.971,-0.021).
atm(m28,a13,h,h,3.686,2.616,-0.141,0.114).
atm(m28,a14,h,h,5.823,3.860,-0.389,0.105).
atm(m28,a15,h,h,7.993,2.688,-0.074,0.104).
atm(m28,a16,h,h,8.025,0.266,0.487,0.104).
atm(m28,a17,h,h,5.895,-0.984,0.734,0.109).
atm(m28,a18,h,h,2.620,0.385,-0.258,0.081).
atm(m28,a19,h,h,3.509,-1.079,0.196,0.072).
atm(m28,a20,h,h,0.599,0.009,3.881,0.070).
atm(m28,a21,h,h,1.389,1.592,4.063,0.064).
atm(m28,a22,h,h,2.560,-1.053,4.774,0.067).
atm(m28,a23,h,h,3.383,0.514,4.881,0.050).
atm(m28,a24,h,h,4.514,-0.337,2.987,0.075).
bond(m28,a1,a2,ar).
bond(m28,a1,a6,ar).
bond(m28,a1,a13,1).
bond(m28,a2,a3,ar).
bond(m28,a2,a14,1).
bond(m28,a3,a4,ar).
bond(m28,a3,a15,1).
bond(m28,a4,a5,ar).
bond(m28,a4,a16,1).
bond(m28,a5,a6,ar).
bond(m28,a5,a17,1).
bond(m28,a6,a7,1).
bond(m28,a7,a8,1).
bond(m28,a7,a18,1).
bond(m28,a7,a19,1).
bond(m28,a8,a9,2).
bond(m28,a8,a12,1).
bond(m28,a9,a10,1).
bond(m28,a10,a11,1).
bond(m28,a10,a20,1).
bond(m28,a10,a21,1).
bond(m28,a11,a12,1).
bond(m28,a11,a22,1).
bond(m28,a11,a23,1).
bond(m28,a12,a24,1).
atm(m290,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m290,a2,c,c3,0.611,1.364,0.229,-0.096).
atm(m290,a3,c,c3,2.130,1.302,0.214,-0.108).
atm(m290,a4,c,c3,2.740,2.676,0.441,-0.096).
atm(m290,a5,c,c3,4.260,2.639,0.425,-0.099).
atm(m290,a6,c,c2,4.821,2.002,1.679,0.373).
atm(m290,a7,o,o2,4.670,2.364,2.829,-0.383).
atm(m290,a8,o,o3,5.591,0.907,1.420,-0.271).
atm(m290,a9,c,c3,6.193,0.218,2.517,0.078).
atm(m290,a10,c,c3,6.978,-0.936,1.924,-0.124).
atm(m290,a11,h,h,0.298,-0.420,-0.970,0.038).
atm(m290,a12,h,h,0.308,-0.717,0.773,0.039).
atm(m290,a13,h,h,-1.096,0.047,0.014,0.038).
atm(m290,a14,h,h,0.254,2.073,-0.544,0.048).
atm(m290,a15,h,h,0.261,1.778,1.196,0.052).
atm(m290,a16,h,h,2.487,0.595,0.990,0.056).
atm(m290,a17,h,h,2.481,0.884,-0.752,0.053).
atm(m290,a18,h,h,2.391,3.373,-0.347,0.054).
atm(m290,a19,h,h,2.377,3.102,1.398,0.069).
atm(m290,a20,h,h,4.621,2.116,-0.484,0.077).
atm(m290,a21,h,h,4.664,3.669,0.364,0.074).
atm(m290,a22,h,h,6.849,0.911,3.078,0.047).
atm(m290,a23,h,h,5.407,-0.137,3.210,0.047).
atm(m290,a24,h,h,7.761,-0.593,1.236,0.048).
atm(m290,a25,h,h,7.466,-1.507,2.724,0.047).
atm(m290,a26,h,h,6.335,-1.630,1.366,0.048).
bond(m290,a1,a2,1).
bond(m290,a1,a11,1).
bond(m290,a1,a12,1).
bond(m290,a1,a13,1).
bond(m290,a2,a3,1).
bond(m290,a2,a14,1).
bond(m290,a2,a15,1).
bond(m290,a3,a4,1).
bond(m290,a3,a16,1).
bond(m290,a3,a17,1).
bond(m290,a4,a5,1).
bond(m290,a4,a18,1).
bond(m290,a4,a19,1).
bond(m290,a5,a6,1).
bond(m290,a5,a20,1).
bond(m290,a5,a21,1).
bond(m290,a6,a7,2).
bond(m290,a6,a8,1).
bond(m290,a8,a9,1).
bond(m290,a9,a10,1).
bond(m290,a9,a22,1).
bond(m290,a9,a23,1).
bond(m290,a10,a24,1).
bond(m290,a10,a25,1).
bond(m290,a10,a26,1).
atm(m291,a1,c,c3,0.000,0.000,0.000,-0.112).
atm(m291,a2,c,c3,1.314,0.760,0.000,-0.088).
atm(m291,a3,c,c3,2.513,-0.174,0.001,-0.187).
atm(m291,a4,c,c2,3.814,0.591,0.001,0.279).
atm(m291,a5,o,o2,4.894,0.045,0.000,-0.319).
atm(m291,a6,h,h,0.144,-1.089,0.000,0.044).
atm(m291,a7,h,h,-0.608,0.240,0.882,0.040).
atm(m291,a8,h,h,-0.608,0.241,-0.882,0.040).
atm(m291,a9,h,h,1.367,1.431,-0.880,0.049).
atm(m291,a10,h,h,1.367,1.431,0.880,0.049).
atm(m291,a11,h,h,2.476,-0.845,0.882,0.081).
atm(m291,a12,h,h,2.477,-0.845,-0.881,0.081).
atm(m291,a13,h,h,3.755,1.692,0.002,0.046).
bond(m291,a1,a2,1).
bond(m291,a1,a6,1).
bond(m291,a1,a7,1).
bond(m291,a1,a8,1).
bond(m291,a2,a3,1).
bond(m291,a2,a9,1).
bond(m291,a2,a10,1).
bond(m291,a3,a4,1).
bond(m291,a3,a11,1).
bond(m291,a3,a12,1).
bond(m291,a4,a5,2).
bond(m291,a4,a13,1).
atm(m292,a1,c,c3,4.206,2.428,0.000,-0.148).
atm(m292,a2,c,c2,4.951,1.127,-0.001,0.359).
atm(m292,a3,o,o2,6.159,0.992,0.000,-0.344).
atm(m292,a4,o,o3,4.412,-0.123,-0.001,-0.250).
atm(m292,a5,c,c3,3.033,-0.447,-0.001,0.058).
atm(m292,a6,c,c3,1.981,0.653,-0.006,-0.148).
atm(m292,a7,c,c3,0.586,0.050,-0.009,-0.089).
atm(m292,a8,c,c3,-0.493,1.116,-0.014,-0.111).
atm(m292,a9,h,h,4.893,3.282,0.002,0.078).
atm(m292,a10,h,h,3.558,2.503,-0.889,0.071).
atm(m292,a11,h,h,3.554,2.500,0.886,0.071).
atm(m292,a12,h,h,2.930,-1.094,-0.893,0.051).
atm(m292,a13,h,h,2.928,-1.089,0.893,0.051).
atm(m292,a14,h,h,2.115,1.318,0.877,0.062).
atm(m292,a15,h,h,2.120,1.316,-0.890,0.062).
atm(m292,a16,h,h,0.473,-0.614,-0.890,0.053).
atm(m292,a17,h,h,0.468,-0.613,0.871,0.053).
atm(m292,a18,h,h,-0.081,2.134,-0.015,0.040).
atm(m292,a19,h,h,-1.140,1.034,-0.896,0.040).
atm(m292,a20,h,h,-1.144,1.038,0.867,0.040).
bond(m292,a1,a2,1).
bond(m292,a1,a9,1).
bond(m292,a1,a10,1).
bond(m292,a1,a11,1).
bond(m292,a2,a3,2).
bond(m292,a2,a4,1).
bond(m292,a4,a5,1).
bond(m292,a5,a6,1).
bond(m292,a5,a12,1).
bond(m292,a5,a13,1).
bond(m292,a6,a7,1).
bond(m292,a6,a14,1).
bond(m292,a6,a15,1).
bond(m292,a7,a8,1).
bond(m292,a7,a16,1).
bond(m292,a7,a17,1).
bond(m292,a8,a18,1).
bond(m292,a8,a19,1).
bond(m292,a8,a20,1).
atm(m293,a1,o,o3,2.425,0.700,0.000,-0.256).
atm(m293,a2,c,c3,1.285,-0.140,-0.028,0.022).
atm(m293,a3,c,c3,-0.020,0.668,-0.005,0.022).
atm(m293,a4,o,o3,-0.043,1.658,-1.018,-0.256).
atm(m293,a5,c,c3,1.097,2.498,-0.990,0.022).
atm(m293,a6,c,c3,2.401,1.690,-1.013,0.022).
atm(m293,a7,h,h,1.409,-0.752,0.880,0.063).
atm(m293,a8,h,h,1.336,-0.806,-0.910,0.043).
atm(m293,a9,h,h,-0.188,1.140,0.981,0.043).
atm(m293,a10,h,h,-0.896,0.046,-0.249,0.063).
atm(m293,a11,h,h,1.046,3.164,-0.108,0.043).
atm(m293,a12,h,h,0.973,3.110,-1.898,0.063).
atm(m293,a13,h,h,2.570,1.218,-1.998,0.043).
atm(m293,a14,h,h,3.277,2.312,-0.768,0.063).
bond(m293,a1,a2,1).
bond(m293,a1,a6,1).
bond(m293,a2,a3,1).
bond(m293,a2,a7,1).
bond(m293,a2,a8,1).
bond(m293,a3,a4,1).
bond(m293,a3,a9,1).
bond(m293,a3,a10,1).
bond(m293,a4,a5,1).
bond(m293,a5,a6,1).
bond(m293,a5,a11,1).
bond(m293,a5,a12,1).
bond(m293,a6,a13,1).
bond(m293,a6,a14,1).
atm(m294,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m294,a2,c,c3,1.298,0.749,-0.202,-0.098).
atm(m294,a3,c,c3,2.334,0.358,0.839,-0.103).
atm(m294,a4,c,c3,3.638,1.112,0.633,-0.102).
atm(m294,a5,c,c3,4.674,0.719,1.675,-0.102).
atm(m294,a6,c,c3,5.977,1.473,1.470,-0.102).
atm(m294,a7,c,c3,7.013,1.081,2.512,-0.102).
atm(m294,a8,c,c3,8.316,1.835,2.307,-0.102).
atm(m294,a9,c,c3,9.351,1.442,3.349,-0.102).
atm(m294,a10,c,c3,10.655,2.198,3.145,-0.101).
atm(m294,a11,c,c3,11.689,1.805,4.188,-0.104).
atm(m294,a12,c,c3,12.991,2.569,3.974,-0.103).
atm(m294,a13,n,n3,14.020,2.138,4.945,-0.036).
atm(m294,a14,h,h,0.144,-1.086,-0.074,0.038).
atm(m294,a15,h,h,-0.436,0.204,0.987,0.038).
atm(m294,a16,h,h,-0.746,0.284,-0.753,0.037).
atm(m294,a17,h,h,1.693,0.553,-1.219,0.048).
atm(m294,a18,h,h,1.115,1.841,-0.160,0.048).
atm(m294,a19,h,h,1.939,0.554,1.856,0.051).
atm(m294,a20,h,h,2.517,-0.735,0.798,0.051).
atm(m294,a21,h,h,4.032,0.916,-0.384,0.051).
atm(m294,a22,h,h,3.455,2.204,0.675,0.051).
atm(m294,a23,h,h,4.279,0.914,2.693,0.051).
atm(m294,a24,h,h,4.858,-0.373,1.633,0.051).
atm(m294,a25,h,h,6.372,1.278,0.452,0.051).
atm(m294,a26,h,h,5.793,2.566,1.513,0.051).
atm(m294,a27,h,h,6.618,1.275,3.530,0.051).
atm(m294,a28,h,h,7.197,-0.012,2.469,0.051).
atm(m294,a29,h,h,8.711,1.641,1.289,0.051).
atm(m294,a30,h,h,8.132,2.928,2.350,0.050).
atm(m294,a31,h,h,8.957,1.635,4.367,0.051).
atm(m294,a32,h,h,9.537,0.350,3.305,0.053).
atm(m294,a33,h,h,11.050,2.002,2.128,0.052).
atm(m294,a34,h,h,10.469,3.290,3.186,0.049).
atm(m294,a35,h,h,11.288,1.999,5.205,0.049).
atm(m294,a36,h,h,11.871,0.712,4.145,0.064).
atm(m294,a37,h,h,13.391,2.365,2.960,0.055).
atm(m294,a38,h,h,12.794,3.663,4.012,0.026).
atm(m294,a39,h,h,14.843,2.688,4.817,0.024).
atm(m294,a40,h,h,13.683,2.269,5.876,0.022).
bond(m294,a1,a2,1).
bond(m294,a1,a14,1).
bond(m294,a1,a15,1).
bond(m294,a1,a16,1).
bond(m294,a2,a3,1).
bond(m294,a2,a17,1).
bond(m294,a2,a18,1).
bond(m294,a3,a4,1).
bond(m294,a3,a19,1).
bond(m294,a3,a20,1).
bond(m294,a4,a5,1).
bond(m294,a4,a21,1).
bond(m294,a4,a22,1).
bond(m294,a5,a6,1).
bond(m294,a5,a23,1).
bond(m294,a5,a24,1).
bond(m294,a6,a7,1).
bond(m294,a6,a25,1).
bond(m294,a6,a26,1).
bond(m294,a7,a8,1).
bond(m294,a7,a27,1).
bond(m294,a7,a28,1).
bond(m294,a8,a9,1).
bond(m294,a8,a29,1).
bond(m294,a8,a30,1).
bond(m294,a9,a10,1).
bond(m294,a9,a31,1).
bond(m294,a9,a32,1).
bond(m294,a10,a11,1).
bond(m294,a10,a33,1).
bond(m294,a10,a34,1).
bond(m294,a11,a12,1).
bond(m294,a11,a35,1).
bond(m294,a11,a36,1).
bond(m294,a12,a13,1).
bond(m294,a12,a37,1).
bond(m294,a12,a38,1).
bond(m294,a13,a39,1).
bond(m294,a13,a40,1).
atm(m295,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m295,a2,c,c3,1.212,0.700,0.000,-0.107).
atm(m295,a3,c,c3,2.442,0.000,0.000,-0.101).
atm(m295,a4,c,c3,3.654,0.700,0.000,-0.098).
atm(m295,a5,c,c3,4.884,0.000,0.000,-0.097).
atm(m295,a6,c,c3,6.096,0.700,0.000,-0.097).
atm(m295,a7,c,c3,7.325,0.000,0.000,-0.097).
atm(m295,a8,c,c3,8.538,0.700,0.000,-0.097).
atm(m295,a9,c,c3,9.750,0.000,0.000,-0.097).
atm(m295,a10,c,c3,10.979,0.700,0.000,-0.097).
atm(m295,a11,c,c3,12.192,0.000,0.000,-0.098).
atm(m295,a12,c,c3,13.421,0.700,0.000,-0.099).
atm(m295,a13,c,c3,14.633,0.000,0.000,-0.166).
atm(m295,a14,c,c2,15.863,0.700,0.000,0.261).
atm(m295,a15,o,o2,17.075,0.000,0.000,-0.380).
atm(m295,a16,h,h,0.199,-1.072,0.000,0.045).
atm(m295,a17,h,h,-0.572,0.263,0.890,0.042).
atm(m295,a18,h,h,-0.572,0.263,-0.890,0.042).
atm(m295,a19,h,h,1.211,1.329,-0.890,0.047).
atm(m295,a20,h,h,1.211,1.329,0.890,0.047).
atm(m295,a21,h,h,2.444,-0.629,0.890,0.049).
atm(m295,a22,h,h,2.444,-0.629,-0.890,0.049).
atm(m295,a23,h,h,3.652,1.329,-0.890,0.048).
atm(m295,a24,h,h,3.652,1.329,0.890,0.048).
atm(m295,a25,h,h,4.885,-0.629,0.890,0.049).
atm(m295,a26,h,h,4.885,-0.629,-0.890,0.049).
atm(m295,a27,h,h,6.094,1.329,-0.890,0.049).
atm(m295,a28,h,h,6.094,1.329,0.890,0.049).
atm(m295,a29,h,h,7.327,-0.629,0.890,0.049).
atm(m295,a30,h,h,7.327,-0.629,-0.890,0.049).
atm(m295,a31,h,h,8.538,1.329,-0.890,0.049).
atm(m295,a32,h,h,8.538,1.329,0.890,0.049).
atm(m295,a33,h,h,9.748,-0.629,0.890,0.050).
atm(m295,a34,h,h,9.748,-0.629,-0.890,0.050).
atm(m295,a35,h,h,10.981,1.329,-0.890,0.049).
atm(m295,a36,h,h,10.981,1.329,0.890,0.049).
atm(m295,a37,h,h,12.190,-0.629,0.890,0.051).
atm(m295,a38,h,h,12.190,-0.629,-0.890,0.051).
atm(m295,a39,h,h,13.423,1.329,-0.890,0.051).
atm(m295,a40,h,h,13.423,1.329,0.890,0.051).
atm(m295,a41,h,h,14.631,-0.629,0.890,0.097).
atm(m295,a42,h,h,14.631,-0.629,-0.890,0.097).
atm(m295,a43,h,h,15.866,1.790,0.000,0.075).
bond(m295,a1,a2,1).
bond(m295,a1,a16,1).
bond(m295,a1,a17,1).
bond(m295,a1,a18,1).
bond(m295,a2,a3,1).
bond(m295,a2,a19,1).
bond(m295,a2,a20,1).
bond(m295,a3,a4,1).
bond(m295,a3,a21,1).
bond(m295,a3,a22,1).
bond(m295,a4,a5,1).
bond(m295,a4,a23,1).
bond(m295,a4,a24,1).
bond(m295,a5,a6,1).
bond(m295,a5,a25,1).
bond(m295,a5,a26,1).
bond(m295,a6,a7,1).
bond(m295,a6,a27,1).
bond(m295,a6,a28,1).
bond(m295,a7,a8,1).
bond(m295,a7,a29,1).
bond(m295,a7,a30,1).
bond(m295,a8,a9,1).
bond(m295,a8,a31,1).
bond(m295,a8,a32,1).
bond(m295,a9,a10,1).
bond(m295,a9,a33,1).
bond(m295,a9,a34,1).
bond(m295,a10,a11,1).
bond(m295,a10,a35,1).
bond(m295,a10,a36,1).
bond(m295,a11,a12,1).
bond(m295,a11,a37,1).
bond(m295,a11,a38,1).
bond(m295,a12,a13,1).
bond(m295,a12,a39,1).
bond(m295,a12,a40,1).
bond(m295,a13,a14,1).
bond(m295,a13,a41,1).
bond(m295,a13,a42,1).
bond(m295,a14,a15,2).
bond(m295,a14,a43,1).
atm(m296,a1,c,c3,10.450,1.024,0.000,-0.109).
atm(m296,a2,c,c3,9.149,0.280,-0.200,-0.089).
atm(m296,a3,c,c3,7.952,1.166,0.100,-0.156).
atm(m296,a4,c,c3,6.640,0.414,-0.156,0.142).
atm(m296,a5,o,o3,5.571,0.953,0.567,-0.661).
atm(m296,a6,p,p3,4.501,2.083,-0.124,2.165).
atm(m296,a7,o,o2,4.415,2.139,-1.566,-0.820).
atm(m296,a8,o,o3,3.046,1.700,0.634,-0.616).
atm(m296,a9,c,c3,2.973,1.103,1.901,0.138).
atm(m296,a10,c,c3,1.518,1.148,2.375,-0.125).
atm(m296,a11,c,c3,1.382,0.488,3.737,-0.093).
atm(m296,a12,c,c3,-0.049,0.521,4.225,-0.108).
atm(m296,a13,o,o3,4.995,3.540,0.575,-0.621).
atm(m296,a14,c,c3,5.261,3.724,1.935,0.140).
atm(m296,a15,c,c3,6.762,3.868,2.203,-0.157).
atm(m296,a16,c,c3,7.017,4.166,3.671,-0.090).
atm(m296,a17,c,c3,8.496,4.300,3.957,-0.108).
atm(m296,a18,h,h,11.314,0.379,-0.208,0.038).
atm(m296,a19,h,h,10.526,1.896,-0.663,0.039).
atm(m296,a20,h,h,10.554,1.389,1.031,0.037).
atm(m296,a21,h,h,9.085,-0.098,-1.239,0.048).
atm(m296,a22,h,h,9.126,-0.620,0.447,0.048).
atm(m296,a23,h,h,7.996,1.531,1.153,0.068).
atm(m296,a24,h,h,8.000,2.084,-0.521,0.055).
atm(m296,a25,h,h,6.408,0.373,-1.238,0.033).
atm(m296,a26,h,h,6.704,-0.627,0.215,0.036).
atm(m296,a27,h,h,3.331,0.058,1.833,0.028).
atm(m296,a28,h,h,3.637,1.645,2.612,0.018).
atm(m296,a29,h,h,1.160,2.196,2.421,0.058).
atm(m296,a30,h,h,0.859,0.645,1.640,0.063).
atm(m296,a31,h,h,1.740,-0.560,3.687,0.047).
atm(m296,a32,h,h,2.043,0.992,4.470,0.044).
atm(m296,a33,h,h,-0.421,1.549,4.321,0.038).
atm(m296,a34,h,h,-0.146,0.044,5.209,0.037).
atm(m296,a35,h,h,-0.723,-0.006,3.537,0.039).
atm(m296,a36,h,h,4.726,4.655,2.202,0.035).
atm(m296,a37,h,h,4.825,2.900,2.544,0.020).
atm(m296,a38,h,h,7.305,2.940,1.902,0.067).
atm(m296,a39,h,h,7.188,4.673,1.572,0.064).
atm(m296,a40,h,h,6.489,5.095,3.966,0.048).
atm(m296,a41,h,h,6.582,3.364,4.300,0.045).
atm(m296,a42,h,h,8.680,4.506,5.019,0.037).
atm(m296,a43,h,h,9.042,3.382,3.700,0.037).
atm(m296,a44,h,h,8.947,5.119,3.381,0.039).
bond(m296,a1,a2,1).
bond(m296,a1,a18,1).
bond(m296,a1,a19,1).
bond(m296,a1,a20,1).
bond(m296,a2,a3,1).
bond(m296,a2,a21,1).
bond(m296,a2,a22,1).
bond(m296,a3,a4,1).
bond(m296,a3,a23,1).
bond(m296,a3,a24,1).
bond(m296,a4,a5,1).
bond(m296,a4,a25,1).
bond(m296,a4,a26,1).
bond(m296,a5,a6,1).
bond(m296,a6,a7,2).
bond(m296,a6,a8,1).
bond(m296,a6,a13,1).
bond(m296,a8,a9,1).
bond(m296,a9,a10,1).
bond(m296,a9,a27,1).
bond(m296,a9,a28,1).
bond(m296,a10,a11,1).
bond(m296,a10,a29,1).
bond(m296,a10,a30,1).
bond(m296,a11,a12,1).
bond(m296,a11,a31,1).
bond(m296,a11,a32,1).
bond(m296,a12,a33,1).
bond(m296,a12,a34,1).
bond(m296,a12,a35,1).
bond(m296,a13,a14,1).
bond(m296,a14,a15,1).
bond(m296,a14,a36,1).
bond(m296,a14,a37,1).
bond(m296,a15,a16,1).
bond(m296,a15,a38,1).
bond(m296,a15,a39,1).
bond(m296,a16,a17,1).
bond(m296,a16,a40,1).
bond(m296,a16,a41,1).
bond(m296,a17,a42,1).
bond(m296,a17,a43,1).
bond(m296,a17,a44,1).
atm(m297,a1,o,o2,2.594,4.817,0.000,-0.309).
atm(m297,a2,c,c2,2.589,3.601,0.003,0.290).
atm(m297,a3,c,c3,3.876,2.810,-0.015,-0.220).
atm(m297,a4,c,c2,3.780,1.597,-0.910,0.290).
atm(m297,a5,o,o2,4.708,1.261,-1.621,-0.309).
atm(m297,a6,c,c3,2.489,0.809,-0.876,-0.157).
atm(m297,a7,c,c3,1.294,2.819,0.038,-0.157).
atm(m297,a8,c,c3,1.476,1.301,0.166,-0.032).
atm(m297,a9,c,c3,1.926,0.926,1.579,-0.125).
atm(m297,a10,c,c3,0.130,0.623,-0.103,-0.116).
atm(m297,a11,h,h,4.065,2.450,1.023,0.104).
atm(m297,a12,h,h,4.742,3.448,-0.285,0.108).
atm(m297,a13,h,h,2.713,-0.263,-0.700,0.087).
atm(m297,a14,h,h,2.032,0.854,-1.886,0.085).
atm(m297,a15,h,h,0.729,3.047,-0.890,0.085).
atm(m297,a16,h,h,0.660,3.189,0.869,0.087).
atm(m297,a17,h,h,2.895,1.387,1.832,0.046).
atm(m297,a18,h,h,1.197,1.258,2.330,0.050).
atm(m297,a19,h,h,2.039,-0.161,1.685,0.050).
atm(m297,a20,h,h,-0.250,0.854,-1.108,0.046).
atm(m297,a21,h,h,0.214,-0.469,-0.026,0.048).
atm(m297,a22,h,h,-0.629,0.950,0.619,0.048).
bond(m297,a1,a2,2).
bond(m297,a2,a3,1).
bond(m297,a2,a7,1).
bond(m297,a3,a4,1).
bond(m297,a3,a11,1).
bond(m297,a3,a12,1).
bond(m297,a4,a5,2).
bond(m297,a4,a6,1).
bond(m297,a6,a8,1).
bond(m297,a6,a13,1).
bond(m297,a6,a14,1).
bond(m297,a7,a8,1).
bond(m297,a7,a15,1).
bond(m297,a7,a16,1).
bond(m297,a8,a9,1).
bond(m297,a8,a10,1).
bond(m297,a9,a17,1).
bond(m297,a9,a18,1).
bond(m297,a9,a19,1).
bond(m297,a10,a20,1).
bond(m297,a10,a21,1).
bond(m297,a10,a22,1).
atm(m298,a1,cl,cl,0.000,0.698,0.000,-0.058).
atm(m298,a2,c,c3,1.532,-0.198,-0.022,-0.089).
atm(m298,a3,c,c3,2.695,0.790,0.019,0.067).
atm(m298,a4,o,o3,2.740,1.408,-1.255,-0.302).
atm(m298,a5,c,c3,4.002,0.067,0.341,-0.153).
atm(m298,a6,h,h,1.557,-0.868,0.856,0.064).
atm(m298,a7,h,h,1.557,-0.833,-0.926,0.077).
atm(m298,a8,h,h,2.491,1.569,0.795,0.054).
atm(m298,a9,h,h,3.447,2.038,-1.225,0.190).
atm(m298,a10,h,h,4.852,0.761,0.361,0.044).
atm(m298,a11,h,h,3.950,-0.417,1.325,0.051).
atm(m298,a12,h,h,4.231,-0.711,-0.400,0.054).
bond(m298,a1,a2,1).
bond(m298,a2,a3,1).
bond(m298,a2,a6,1).
bond(m298,a2,a7,1).
bond(m298,a3,a4,1).
bond(m298,a3,a5,1).
bond(m298,a3,a8,1).
bond(m298,a4,a9,1).
bond(m298,a5,a10,1).
bond(m298,a5,a11,1).
bond(m298,a5,a12,1).
atm(m299,a1,c,c2,2.098,2.425,0.000,-0.275).
atm(m299,a2,cl,cl,3.768,2.482,0.000,0.137).
atm(m299,a3,cl,cl,1.311,3.899,0.000,0.138).
atm(m299,a4,c,c2,1.426,1.261,0.000,-0.275).
atm(m299,a5,cl,cl,-0.243,1.205,0.000,0.137).
atm(m299,a6,cl,cl,2.213,-0.212,0.000,0.138).
bond(m299,a1,a2,1).
bond(m299,a1,a3,1).
bond(m299,a1,a4,2).
bond(m299,a4,a5,1).
bond(m299,a4,a6,1).
atm(m29,a1,c,car,1.212,0.000,0.000,-0.103).
atm(m29,a2,c,car,0.008,0.696,-0.002,-0.098).
atm(m29,a3,c,car,0.004,2.087,-0.007,-0.109).
atm(m29,a4,c,car,1.208,2.783,-0.016,-0.095).
atm(m29,a5,c,car,2.412,2.090,-0.014,-0.104).
atm(m29,a6,c,car,2.424,0.693,-0.001,-0.062).
atm(m29,a7,c,c3,3.715,-0.058,0.050,-0.050).
atm(m29,a8,c,c3,4.823,0.560,-0.813,-0.094).
atm(m29,a9,n,n3,4.554,0.322,-2.254,-0.034).
atm(m29,a10,c,c3,6.185,0.033,-0.367,-0.144).
atm(m29,a11,h,h,1.207,-1.096,0.000,0.103).
atm(m29,a12,h,h,-0.938,0.147,-0.001,0.101).
atm(m29,a13,h,h,-0.945,2.632,-0.009,0.102).
atm(m29,a14,h,h,1.209,3.878,-0.028,0.101).
atm(m29,a15,h,h,3.373,2.625,-0.044,0.109).
atm(m29,a16,h,h,4.048,-0.078,1.109,0.059).
atm(m29,a17,h,h,3.554,-1.121,-0.228,0.057).
atm(m29,a18,h,h,4.794,1.676,-0.676,0.079).
atm(m29,a19,h,h,5.302,0.701,-2.795,0.026).
atm(m29,a20,h,h,4.487,-0.659,-2.431,0.025).
atm(m29,a21,h,h,7.002,0.454,-0.969,0.042).
atm(m29,a22,h,h,6.388,0.295,0.680,0.049).
atm(m29,a23,h,h,6.248,-1.062,-0.445,0.042).
bond(m29,a1,a2,ar).
bond(m29,a1,a6,ar).
bond(m29,a1,a11,1).
bond(m29,a2,a3,ar).
bond(m29,a2,a12,1).
bond(m29,a3,a4,ar).
bond(m29,a3,a13,1).
bond(m29,a4,a5,ar).
bond(m29,a4,a14,1).
bond(m29,a5,a6,ar).
bond(m29,a5,a15,1).
bond(m29,a6,a7,1).
bond(m29,a7,a8,1).
bond(m29,a7,a16,1).
bond(m29,a7,a17,1).
bond(m29,a8,a9,1).
bond(m29,a8,a10,1).
bond(m29,a8,a18,1).
bond(m29,a9,a19,1).
bond(m29,a9,a20,1).
bond(m29,a10,a21,1).
bond(m29,a10,a22,1).
bond(m29,a10,a23,1).
atm(m2,a1,c,car,2.798,2.420,0.000,0.154).
atm(m2,a2,o,o3,2.037,1.289,0.002,-0.129).
atm(m2,a3,c,c3,2.636,0.011,0.004,0.014).
atm(m2,a4,c,car,2.012,3.598,-0.001,-0.407).
atm(m2,a5,n,n4,0.527,3.409,0.000,1.314).
atm(m2,a6,o,oco2,-0.222,4.372,0.000,-0.619).
atm(m2,a7,o,oco2,0.096,2.277,0.002,-0.561).
atm(m2,a8,c,car,2.625,4.871,-0.003,-0.102).
atm(m2,a9,c,c2,1.815,6.135,-0.004,0.276).
atm(m2,a10,o,o2,2.334,7.226,-0.006,-0.297).
atm(m2,a11,c,car,4.010,4.956,-0.004,-0.056).
atm(m2,a12,c,car,4.770,3.797,-0.003,-0.153).
atm(m2,a13,br,br,6.624,4.041,-0.005,0.046).
atm(m2,a14,c,car,4.220,2.528,-0.001,0.061).
atm(m2,a15,o,o3,4.951,1.373,0.000,-0.216).
atm(m2,a16,h,h,3.737,-0.001,0.007,0.077).
atm(m2,a17,h,h,2.253,-0.487,0.899,0.049).
atm(m2,a18,h,h,2.257,-0.489,-0.892,0.048).
atm(m2,a19,h,h,0.708,6.003,-0.003,0.133).
atm(m2,a20,h,h,4.518,5.931,-0.005,0.151).
atm(m2,a21,h,h,5.876,1.588,-0.001,0.215).
bond(m2,a1,a2,1).
bond(m2,a1,a4,ar).
bond(m2,a1,a14,ar).
bond(m2,a2,a3,1).
bond(m2,a3,a16,1).
bond(m2,a3,a17,1).
bond(m2,a3,a18,1).
bond(m2,a4,a5,1).
bond(m2,a4,a8,ar).
bond(m2,a5,a6,2).
bond(m2,a5,a7,1).
bond(m2,a8,a9,1).
bond(m2,a8,a11,ar).
bond(m2,a9,a10,2).
bond(m2,a9,a19,1).
bond(m2,a11,a12,ar).
bond(m2,a11,a20,1).
bond(m2,a12,a13,1).
bond(m2,a12,a14,ar).
bond(m2,a14,a15,1).
bond(m2,a15,a21,1).
atm(m300,a1,c,c3,2.934,0.000,0.000,-0.125).
atm(m300,a2,c,c3,3.708,1.328,0.004,0.305).
atm(m300,a3,c,car,2.774,2.522,0.189,-0.131).
atm(m300,a4,c,car,1.671,2.408,1.037,-0.082).
atm(m300,a5,c,car,0.832,3.494,1.250,-0.104).
atm(m300,a6,c,car,1.088,4.707,0.618,-0.093).
atm(m300,a7,c,car,2.185,4.827,-0.227,-0.106).
atm(m300,a8,c,car,3.027,3.741,-0.440,-0.088).
atm(m300,a9,o,o3,4.613,1.256,1.105,-0.303).
atm(m300,a10,c,c1,4.454,1.435,-1.253,-0.218).
atm(m300,a11,c,c1,5.064,1.491,-2.275,-0.154).
atm(m300,a12,h,h,3.611,-0.862,0.038,0.060).
atm(m300,a13,h,h,2.258,-0.060,0.869,0.055).
atm(m300,a14,h,h,2.322,-0.091,-0.905,0.052).
atm(m300,a15,h,h,1.477,1.441,1.526,0.117).
atm(m300,a16,h,h,-0.031,3.394,1.917,0.105).
atm(m300,a17,h,h,0.426,5.563,0.785,0.103).
atm(m300,a18,h,h,2.389,5.780,-0.727,0.104).
atm(m300,a19,h,h,3.890,3.842,-1.111,0.113).
atm(m300,a20,h,h,5.054,2.094,1.149,0.194).
atm(m300,a21,h,h,5.609,1.541,-3.188,0.196).
bond(m300,a1,a2,1).
bond(m300,a1,a12,1).
bond(m300,a1,a13,1).
bond(m300,a1,a14,1).
bond(m300,a2,a3,1).
bond(m300,a2,a9,1).
bond(m300,a2,a10,1).
bond(m300,a3,a4,ar).
bond(m300,a3,a8,ar).
bond(m300,a4,a5,ar).
bond(m300,a4,a15,1).
bond(m300,a5,a6,ar).
bond(m300,a5,a16,1).
bond(m300,a6,a7,ar).
bond(m300,a6,a17,1).
bond(m300,a7,a8,ar).
bond(m300,a7,a18,1).
bond(m300,a8,a19,1).
bond(m300,a9,a20,1).
bond(m300,a10,a11,3).
bond(m300,a11,a21,1).
atm(m301,a1,o,o3,4.010,4.847,0.000,-0.249).
atm(m301,a2,c,car,3.259,3.706,-0.079,0.121).
atm(m301,a3,c,car,3.834,2.424,-0.246,-0.157).
atm(m301,a4,c,c3,5.335,2.186,-0.360,0.017).
atm(m301,a5,c,c3,5.934,3.004,-1.511,-0.123).
atm(m301,a6,c,c3,6.010,2.562,0.963,-0.121).
atm(m301,a7,c,c3,5.673,0.718,-0.654,-0.121).
atm(m301,a8,c,car,2.973,1.326,-0.289,-0.080).
atm(m301,a9,c,car,1.594,1.481,-0.236,-0.113).
atm(m301,a10,c,c3,0.692,0.303,-0.316,-0.056).
atm(m301,a11,c,car,1.051,2.757,-0.108,-0.088).
atm(m301,a12,c,car,1.855,3.888,0.005,-0.097).
atm(m301,a13,c,c3,1.195,5.251,0.175,0.030).
atm(m301,a14,c,c3,-0.308,5.129,0.468,-0.125).
atm(m301,a15,c,c3,1.800,6.028,1.350,-0.117).
atm(m301,a16,c,c3,1.357,6.044,-1.125,-0.117).
atm(m301,a17,h,h,4.932,4.602,0.045,0.212).
atm(m301,a18,h,h,6.960,2.680,-1.733,0.046).
atm(m301,a19,h,h,5.344,2.892,-2.428,0.055).
atm(m301,a20,h,h,5.989,4.079,-1.280,0.039).
atm(m301,a21,h,h,5.887,3.631,1.198,0.037).
atm(m301,a22,h,h,5.590,1.989,1.799,0.053).
atm(m301,a23,h,h,7.090,2.364,0.931,0.046).
atm(m301,a24,h,h,6.747,0.525,-0.528,0.046).
atm(m301,a25,h,h,5.131,0.031,0.014,0.050).
atm(m301,a26,h,h,5.411,0.444,-1.685,0.047).
atm(m301,a27,h,h,3.387,0.308,-0.359,0.117).
atm(m301,a28,h,h,1.245,-0.640,-0.419,0.040).
atm(m301,a29,h,h,0.070,0.224,0.587,0.043).
atm(m301,a30,h,h,0.015,0.386,-1.177,0.044).
atm(m301,a31,h,h,-0.046,2.858,-0.101,0.118).
atm(m301,a32,h,h,-0.816,4.467,-0.250,0.045).
atm(m301,a33,h,h,-0.490,4.725,1.472,0.043).
atm(m301,a34,h,h,-0.801,6.110,0.415,0.045).
atm(m301,a35,h,h,2.776,6.469,1.107,0.056).
atm(m301,a36,h,h,1.148,6.860,1.649,0.037).
atm(m301,a37,h,h,1.933,5.381,2.226,0.043).
atm(m301,a38,h,h,0.868,5.531,-1.963,0.040).
atm(m301,a39,h,h,0.908,7.042,-1.036,0.039).
atm(m301,a40,h,h,2.412,6.185,-1.393,0.055).
bond(m301,a1,a2,1).
bond(m301,a1,a17,1).
bond(m301,a2,a3,ar).
bond(m301,a2,a12,ar).
bond(m301,a3,a4,1).
bond(m301,a3,a8,ar).
bond(m301,a4,a5,1).
bond(m301,a4,a6,1).
bond(m301,a4,a7,1).
bond(m301,a5,a18,1).
bond(m301,a5,a19,1).
bond(m301,a5,a20,1).
bond(m301,a6,a21,1).
bond(m301,a6,a22,1).
bond(m301,a6,a23,1).
bond(m301,a7,a24,1).
bond(m301,a7,a25,1).
bond(m301,a7,a26,1).
bond(m301,a8,a9,ar).
bond(m301,a8,a27,1).
bond(m301,a9,a10,1).
bond(m301,a9,a11,ar).
bond(m301,a10,a28,1).
bond(m301,a10,a29,1).
bond(m301,a10,a30,1).
bond(m301,a11,a12,ar).
bond(m301,a11,a31,1).
bond(m301,a12,a13,1).
bond(m301,a13,a14,1).
bond(m301,a13,a15,1).
bond(m301,a13,a16,1).
bond(m301,a14,a32,1).
bond(m301,a14,a33,1).
bond(m301,a14,a34,1).
bond(m301,a15,a35,1).
bond(m301,a15,a36,1).
bond(m301,a15,a37,1).
bond(m301,a16,a38,1).
bond(m301,a16,a39,1).
bond(m301,a16,a40,1).
atm(m302,a1,o,o2,4.969,0.581,0.000,-0.813).
atm(m302,a2,s,so2,3.730,1.247,0.297,2.310).
atm(m302,a3,c,car,3.862,2.354,1.690,-0.546).
atm(m302,a4,c,car,4.042,2.033,3.024,0.022).
atm(m302,a5,c,car,4.122,3.054,3.977,-0.103).
atm(m302,a6,c,car,4.021,4.384,3.596,-0.059).
atm(m302,a7,c,car,3.838,4.724,2.252,-0.047).
atm(m302,a8,c,car,3.761,3.709,1.316,-0.075).
atm(m302,a9,c,c2,3.568,3.905,-0.153,0.345).
atm(m302,a10,n,nam,3.535,2.626,-0.792,-0.512).
atm(m302,a11,o,o2,3.450,4.937,-0.780,-0.326).
atm(m302,a12,o,o2,2.515,0.480,0.312,-0.813).
atm(m302,a13,h,h,4.123,0.985,3.338,0.112).
atm(m302,a14,h,h,4.265,2.796,5.032,0.114).
atm(m302,a15,h,h,4.084,5.177,4.350,0.111).
atm(m302,a16,h,h,3.758,5.773,1.942,0.129).
atm(m302,a17,h,h,3.416,2.591,-1.783,0.153).
bond(m302,a1,a2,2).
bond(m302,a2,a3,1).
bond(m302,a2,a10,1).
bond(m302,a2,a12,2).
bond(m302,a3,a4,ar).
bond(m302,a3,a8,ar).
bond(m302,a4,a5,ar).
bond(m302,a4,a13,1).
bond(m302,a5,a6,ar).
bond(m302,a5,a14,1).
bond(m302,a6,a7,ar).
bond(m302,a6,a15,1).
bond(m302,a7,a8,ar).
bond(m302,a7,a16,1).
bond(m302,a8,a9,1).
bond(m302,a9,a10,1).
bond(m302,a9,a11,2).
bond(m302,a10,a17,1).
atm(m303,a1,c,car,5.600,3.466,0.000,-0.109).
atm(m303,a2,c,car,6.703,2.614,0.001,-0.076).
atm(m303,a3,c,car,6.557,1.226,0.002,-0.128).
atm(m303,a4,c,car,5.299,0.625,0.002,-0.043).
atm(m303,a5,c,car,4.186,1.451,0.002,-0.085).
atm(m303,a6,c,car,2.751,1.226,0.002,-0.085).
atm(m303,a7,c,car,1.943,0.100,0.003,-0.043).
atm(m303,a8,c,car,0.562,0.288,0.003,-0.128).
atm(m303,a9,c,car,-0.001,1.566,0.002,-0.076).
atm(m303,a10,c,car,0.789,2.714,0.001,-0.109).
atm(m303,a11,c,car,2.163,2.519,0.001,0.044).
atm(m303,a12,o,o3,3.125,3.532,0.000,-0.081).
atm(m303,a13,c,car,4.351,2.861,0.001,0.044).
atm(m303,a14,h,h,5.714,4.554,-0.001,0.121).
atm(m303,a15,h,h,7.709,3.046,0.000,0.103).
atm(m303,a16,h,h,7.452,0.594,0.002,0.105).
atm(m303,a17,h,h,5.188,-0.464,0.003,0.109).
atm(m303,a18,h,h,2.381,-0.902,0.003,0.109).
atm(m303,a19,h,h,-0.098,-0.586,0.003,0.105).
atm(m303,a20,h,h,-1.092,1.670,0.002,0.103).
atm(m303,a21,h,h,0.348,3.715,0.000,0.121).
bond(m303,a1,a2,ar).
bond(m303,a1,a13,ar).
bond(m303,a1,a14,1).
bond(m303,a2,a3,ar).
bond(m303,a2,a15,1).
bond(m303,a3,a4,ar).
bond(m303,a3,a16,1).
bond(m303,a4,a5,ar).
bond(m303,a4,a17,1).
bond(m303,a5,a6,ar).
bond(m303,a5,a13,ar).
bond(m303,a6,a7,ar).
bond(m303,a6,a11,ar).
bond(m303,a7,a8,ar).
bond(m303,a7,a18,1).
bond(m303,a8,a9,ar).
bond(m303,a8,a19,1).
bond(m303,a9,a10,ar).
bond(m303,a9,a20,1).
bond(m303,a10,a11,ar).
bond(m303,a10,a21,1).
bond(m303,a11,a12,ar).
bond(m303,a12,a13,ar).
atm(m304,a1,c,car,8.415,4.860,0.000,-0.130).
atm(m304,a2,c,car,9.804,4.854,0.000,-0.081).
atm(m304,a3,c,car,10.507,3.652,-0.002,-0.123).
atm(m304,a4,c,car,9.821,2.443,-0.004,-0.071).
atm(m304,a5,c,car,8.431,2.421,-0.004,-0.162).
atm(m304,a6,c,car,7.737,3.633,-0.002,0.077).
atm(m304,a7,o,o3,6.352,3.775,-0.001,-0.185).
atm(m304,a8,c,c2,5.504,2.707,-0.006,0.470).
atm(m304,a9,o,o2,5.939,1.557,-0.007,-0.429).
atm(m304,a10,c,car,4.072,3.052,-0.008,-0.299).
atm(m304,a11,c,car,3.117,2.008,-0.015,0.232).
atm(m304,a12,o,o3,3.441,0.694,-0.015,-0.256).
atm(m304,a13,c,car,1.742,2.293,-0.018,-0.239).
atm(m304,a14,c,car,1.320,3.624,-0.020,0.003).
atm(m304,a15,n,npl3,-0.062,3.930,-0.132,0.087).
atm(m304,a16,c,car,2.268,4.668,-0.005,-0.219).
atm(m304,a17,c,car,3.617,4.379,-0.004,0.038).
atm(m304,a18,h,h,7.864,5.807,0.001,0.118).
atm(m304,a19,h,h,10.349,5.804,0.001,0.103).
atm(m304,a20,h,h,11.601,3.661,-0.002,0.105).
atm(m304,a21,h,h,10.373,1.497,-0.006,0.104).
atm(m304,a22,h,h,7.848,1.480,-0.007,0.167).
atm(m304,a23,h,h,4.401,0.610,-0.017,0.252).
atm(m304,a24,h,h,1.020,1.466,-0.024,0.135).
atm(m304,a25,h,h,-0.291,4.815,0.258,0.037).
atm(m304,a26,h,h,-0.646,3.205,0.217,0.038).
atm(m304,a27,h,h,1.940,5.714,-0.002,0.118).
atm(m304,a28,h,h,4.337,5.206,0.002,0.112).
bond(m304,a1,a2,ar).
bond(m304,a1,a6,ar).
bond(m304,a1,a18,1).
bond(m304,a2,a3,ar).
bond(m304,a2,a19,1).
bond(m304,a3,a4,ar).
bond(m304,a3,a20,1).
bond(m304,a4,a5,ar).
bond(m304,a4,a21,1).
bond(m304,a5,a6,ar).
bond(m304,a5,a22,1).
bond(m304,a6,a7,1).
bond(m304,a7,a8,1).
bond(m304,a8,a9,2).
bond(m304,a8,a10,1).
bond(m304,a10,a11,ar).
bond(m304,a10,a17,ar).
bond(m304,a11,a12,1).
bond(m304,a11,a13,ar).
bond(m304,a12,a23,1).
bond(m304,a13,a14,ar).
bond(m304,a13,a24,1).
bond(m304,a14,a15,1).
bond(m304,a14,a16,ar).
bond(m304,a15,a25,1).
bond(m304,a15,a26,1).
bond(m304,a16,a17,ar).
bond(m304,a16,a27,1).
bond(m304,a17,a28,1).
atm(m305,a1,c,c3,7.000,1.211,0.000,-0.118).
atm(m305,a2,c,c3,6.282,2.347,-0.703,-0.061).
atm(m305,a3,n,nam,4.802,2.204,-0.558,-0.131).
atm(m305,a4,c,c3,4.071,3.495,-0.734,-0.052).
atm(m305,a5,c,c3,2.735,3.483,-0.019,-0.125).
atm(m305,a6,c,c2,4.213,1.101,-1.352,0.331).
atm(m305,a7,o,o2,4.548,0.920,-2.504,-0.319).
atm(m305,a8,c,car,3.228,0.247,-0.628,-0.120).
atm(m305,a9,c,car,1.938,0.088,-1.135,-0.070).
atm(m305,a10,c,car,1.032,-0.723,-0.461,-0.105).
atm(m305,a11,c,car,1.410,-1.378,0.706,-0.087).
atm(m305,a12,c,car,2.702,-1.224,1.212,-0.081).
atm(m305,a13,c,c3,3.111,-1.938,2.448,-0.065).
atm(m305,a14,c,car,3.611,-0.404,0.542,-0.059).
atm(m305,a15,h,h,8.087,1.352,-0.058,0.043).
atm(m305,a16,h,h,6.733,1.147,1.064,0.046).
atm(m305,a17,h,h,6.772,0.235,-0.450,0.043).
atm(m305,a18,h,h,6.562,3.317,-0.244,0.054).
atm(m305,a19,h,h,6.591,2.403,-1.768,0.053).
atm(m305,a20,h,h,4.716,4.297,-0.317,0.055).
atm(m305,a21,h,h,3.934,3.734,-1.810,0.041).
atm(m305,a22,h,h,2.845,3.311,1.060,0.052).
atm(m305,a23,h,h,2.066,2.700,-0.406,0.048).
atm(m305,a24,h,h,2.224,4.446,-0.149,0.042).
atm(m305,a25,h,h,1.643,0.597,-2.059,0.112).
atm(m305,a26,h,h,0.018,-0.849,-0.854,0.106).
atm(m305,a27,h,h,0.692,-2.017,1.231,0.106).
atm(m305,a28,h,h,3.888,-1.391,2.998,0.047).
atm(m305,a29,h,h,2.264,-2.089,3.131,0.046).
atm(m305,a30,h,h,3.516,-2.929,2.201,0.049).
atm(m305,a31,h,h,4.628,-0.268,0.937,0.118).
bond(m305,a1,a2,1).
bond(m305,a1,a15,1).
bond(m305,a1,a16,1).
bond(m305,a1,a17,1).
bond(m305,a2,a3,1).
bond(m305,a2,a18,1).
bond(m305,a2,a19,1).
bond(m305,a3,a4,1).
bond(m305,a3,a6,1).
bond(m305,a4,a5,1).
bond(m305,a4,a20,1).
bond(m305,a4,a21,1).
bond(m305,a5,a22,1).
bond(m305,a5,a23,1).
bond(m305,a5,a24,1).
bond(m305,a6,a7,2).
bond(m305,a6,a8,1).
bond(m305,a8,a9,ar).
bond(m305,a8,a14,ar).
bond(m305,a9,a10,ar).
bond(m305,a9,a25,1).
bond(m305,a10,a11,ar).
bond(m305,a10,a26,1).
bond(m305,a11,a12,ar).
bond(m305,a11,a27,1).
bond(m305,a12,a13,1).
bond(m305,a12,a14,ar).
bond(m305,a13,a28,1).
bond(m305,a13,a29,1).
bond(m305,a13,a30,1).
bond(m305,a14,a31,1).
atm(m306,a1,c,c3,0.000,0.698,0.000,-0.115).
atm(m306,a2,c,c3,1.307,-0.071,0.000,-0.087).
atm(m306,a3,c,c2,2.531,0.806,0.000,0.377).
atm(m306,a4,o,o3,3.705,0.124,-0.001,-0.315).
atm(m306,a5,o,o2,2.641,2.019,0.000,-0.394).
atm(m306,a6,h,h,0.141,1.788,0.000,0.069).
atm(m306,a7,h,h,-0.606,0.456,-0.882,0.043).
atm(m306,a8,h,h,-0.606,0.456,0.882,0.043).
atm(m306,a9,h,h,1.364,-0.740,0.882,0.077).
atm(m306,a10,h,h,1.364,-0.740,-0.882,0.077).
atm(m306,a11,h,h,4.433,0.737,-0.001,0.227).
bond(m306,a1,a2,1).
bond(m306,a1,a6,1).
bond(m306,a1,a7,1).
bond(m306,a1,a8,1).
bond(m306,a2,a3,1).
bond(m306,a2,a9,1).
bond(m306,a2,a10,1).
bond(m306,a3,a4,1).
bond(m306,a3,a5,2).
bond(m306,a4,a11,1).
atm(m307,a1,n,n3,0.000,2.428,0.000,-0.024).
atm(m307,a2,c,c3,1.467,2.326,0.057,-0.148).
atm(m307,a3,c,c3,1.987,0.969,0.549,-0.106).
atm(m307,a4,n,n3,3.447,0.914,0.811,-0.078).
atm(m307,a5,c,c3,3.879,1.894,1.852,-0.114).
atm(m307,a6,c,c3,5.372,2.217,1.759,-0.092).
atm(m307,a7,n,n3,6.188,1.097,1.245,-0.053).
atm(m307,a8,c,c3,5.747,0.647,-0.099,-0.086).
atm(m307,a9,c,c3,4.282,0.960,-0.421,-0.093).
atm(m307,a10,h,h,-0.387,2.280,0.909,0.024).
atm(m307,a11,h,h,-0.363,1.735,-0.621,0.024).
atm(m307,a12,h,h,1.856,2.555,-0.956,0.065).
atm(m307,a13,h,h,1.844,3.136,0.724,0.068).
atm(m307,a14,h,h,1.496,0.685,1.502,0.059).
atm(m307,a15,h,h,1.748,0.166,-0.177,0.061).
atm(m307,a16,h,h,3.629,1.428,2.825,0.059).
atm(m307,a17,h,h,3.281,2.835,1.792,0.052).
atm(m307,a18,h,h,5.765,2.506,2.753,0.062).
atm(m307,a19,h,h,5.547,3.084,1.090,0.059).
atm(m307,a20,h,h,6.148,0.335,1.887,0.051).
atm(m307,a21,h,h,5.950,-0.438,-0.196,0.054).
atm(m307,a22,h,h,6.403,1.151,-0.836,0.057).
atm(m307,a23,h,h,4.197,1.945,-0.930,0.041).
atm(m307,a24,h,h,3.882,0.211,-1.132,0.059).
bond(m307,a1,a2,1).
bond(m307,a1,a10,1).
bond(m307,a1,a11,1).
bond(m307,a2,a3,1).
bond(m307,a2,a12,1).
bond(m307,a2,a13,1).
bond(m307,a3,a4,1).
bond(m307,a3,a14,1).
bond(m307,a3,a15,1).
bond(m307,a4,a5,1).
bond(m307,a4,a9,1).
bond(m307,a5,a6,1).
bond(m307,a5,a16,1).
bond(m307,a5,a17,1).
bond(m307,a6,a7,1).
bond(m307,a6,a18,1).
bond(m307,a6,a19,1).
bond(m307,a7,a8,1).
bond(m307,a7,a20,1).
bond(m307,a8,a9,1).
bond(m307,a8,a21,1).
bond(m307,a8,a22,1).
bond(m307,a9,a23,1).
bond(m307,a9,a24,1).
atm(m308,a1,c,c3,13.357,2.097,0.000,-0.109).
atm(m308,a2,c,c3,12.051,1.336,-0.017,-0.094).
atm(m308,a3,c,c3,10.860,2.281,-0.005,-0.119).
atm(m308,a4,c,c3,9.557,1.487,-0.024,0.077).
atm(m308,a5,o,o3,8.501,2.449,-0.011,-0.269).
atm(m308,a6,c,c2,7.213,2.001,-0.023,0.373).
atm(m308,a7,o,o2,6.997,0.805,-0.045,-0.383).
atm(m308,a8,c,c3,6.217,3.138,-0.003,-0.100).
atm(m308,a9,c,c3,4.783,2.639,-0.062,-0.102).
atm(m308,a10,c,c2,3.785,3.776,-0.036,0.371).
atm(m308,a11,o,o2,4.004,4.969,0.026,-0.380).
atm(m308,a12,o,o3,2.496,3.322,-0.080,-0.269).
atm(m308,a13,c,c3,1.417,4.247,-0.074,0.078).
atm(m308,a14,c,c3,1.123,4.805,-1.464,-0.140).
atm(m308,a15,c,c3,-0.156,5.626,-1.443,-0.091).
atm(m308,a16,c,c3,-0.469,6.192,-2.810,-0.109).
atm(m308,a17,h,h,14.216,1.413,-0.008,0.039).
atm(m308,a18,h,h,13.453,2.756,-0.873,0.039).
atm(m308,a19,h,h,13.448,2.727,0.895,0.039).
atm(m308,a20,h,h,12.005,0.682,-0.910,0.050).
atm(m308,a21,h,h,11.999,0.653,0.855,0.050).
atm(m308,a22,h,h,10.903,2.936,0.888,0.062).
atm(m308,a23,h,h,10.910,2.965,-0.876,0.062).
atm(m308,a24,h,h,9.479,0.855,-0.929,0.049).
atm(m308,a25,h,h,9.472,0.825,0.859,0.049).
atm(m308,a26,h,h,6.379,3.745,0.912,0.091).
atm(m308,a27,h,h,6.424,3.821,-0.853,0.091).
atm(m308,a28,h,h,4.620,2.035,-0.978,0.091).
atm(m308,a29,h,h,4.576,1.954,0.786,0.092).
atm(m308,a30,h,h,0.598,3.601,0.291,0.056).
atm(m308,a31,h,h,1.575,5.057,0.664,0.057).
atm(m308,a32,h,h,1.969,5.429,-1.814,0.069).
atm(m308,a33,h,h,1.033,3.981,-2.201,0.061).
atm(m308,a34,h,h,-1.000,5.001,-1.090,0.047).
atm(m308,a35,h,h,-0.064,6.448,-0.705,0.051).
atm(m308,a36,h,h,-0.602,5.398,-3.557,0.038).
atm(m308,a37,h,h,-1.392,6.785,-2.793,0.039).
atm(m308,a38,h,h,0.336,6.847,-3.170,0.041).
bond(m308,a1,a2,1).
bond(m308,a1,a17,1).
bond(m308,a1,a18,1).
bond(m308,a1,a19,1).
bond(m308,a2,a3,1).
bond(m308,a2,a20,1).
bond(m308,a2,a21,1).
bond(m308,a3,a4,1).
bond(m308,a3,a22,1).
bond(m308,a3,a23,1).
bond(m308,a4,a5,1).
bond(m308,a4,a24,1).
bond(m308,a4,a25,1).
bond(m308,a5,a6,1).
bond(m308,a6,a7,2).
bond(m308,a6,a8,1).
bond(m308,a8,a9,1).
bond(m308,a8,a26,1).
bond(m308,a8,a27,1).
bond(m308,a9,a10,1).
bond(m308,a9,a28,1).
bond(m308,a9,a29,1).
bond(m308,a10,a11,2).
bond(m308,a10,a12,1).
bond(m308,a12,a13,1).
bond(m308,a13,a14,1).
bond(m308,a13,a30,1).
bond(m308,a13,a31,1).
bond(m308,a14,a15,1).
bond(m308,a14,a32,1).
bond(m308,a14,a33,1).
bond(m308,a15,a16,1).
bond(m308,a15,a34,1).
bond(m308,a15,a35,1).
bond(m308,a16,a36,1).
bond(m308,a16,a37,1).
bond(m308,a16,a38,1).
atm(m309,a1,c,c3,10.926,0.699,0.000,-0.152).
atm(m309,a2,c,c3,10.892,2.206,-0.173,0.080).
atm(m309,a3,o,o3,9.588,2.679,-0.489,-0.273).
atm(m309,a4,c,c2,8.658,2.826,0.502,0.371).
atm(m309,a5,o,o2,8.989,2.724,1.666,-0.375).
atm(m309,a6,c,c3,7.273,3.132,-0.032,-0.101).
atm(m309,a7,c,c3,6.390,1.893,-0.005,-0.099).
atm(m309,a8,c,c3,6.783,0.882,-1.073,-0.105).
atm(m309,a9,c,c3,5.908,-0.361,-1.033,-0.099).
atm(m309,a10,c,c2,6.272,-1.260,0.130,0.371).
atm(m309,a11,o,o2,7.301,-1.888,0.285,-0.381).
atm(m309,a12,o,o3,5.287,-1.344,1.068,-0.270).
atm(m309,a13,c,c3,5.510,-2.155,2.224,0.078).
atm(m309,a14,c,c3,4.264,-2.036,3.080,-0.124).
atm(m309,a15,h,h,11.964,0.345,0.038,0.050).
atm(m309,a16,h,h,10.434,0.381,0.929,0.061).
atm(m309,a17,h,h,10.426,0.178,-0.828,0.052).
atm(m309,a18,h,h,11.314,2.730,0.706,0.056).
atm(m309,a19,h,h,11.447,2.533,-1.070,0.052).
atm(m309,a20,h,h,6.825,3.927,0.597,0.076).
atm(m309,a21,h,h,7.326,3.547,-1.059,0.076).
atm(m309,a22,h,h,6.424,1.421,0.998,0.070).
atm(m309,a23,h,h,5.335,2.200,-0.154,0.057).
atm(m309,a24,h,h,6.701,1.350,-2.075,0.059).
atm(m309,a25,h,h,7.853,0.603,-0.963,0.077).
atm(m309,a26,h,h,4.836,-0.077,-1.000,0.077).
atm(m309,a27,h,h,6.040,-0.945,-1.966,0.076).
atm(m309,a28,h,h,5.692,-3.201,1.913,0.047).
atm(m309,a29,h,h,6.409,-1.800,2.761,0.050).
atm(m309,a30,h,h,4.075,-1.000,3.393,0.049).
atm(m309,a31,h,h,3.366,-2.387,2.556,0.048).
atm(m309,a32,h,h,4.375,-2.641,3.989,0.048).
bond(m309,a1,a2,1).
bond(m309,a1,a15,1).
bond(m309,a1,a16,1).
bond(m309,a1,a17,1).
bond(m309,a2,a3,1).
bond(m309,a2,a18,1).
bond(m309,a2,a19,1).
bond(m309,a3,a4,1).
bond(m309,a4,a5,2).
bond(m309,a4,a6,1).
bond(m309,a6,a7,1).
bond(m309,a6,a20,1).
bond(m309,a6,a21,1).
bond(m309,a7,a8,1).
bond(m309,a7,a22,1).
bond(m309,a7,a23,1).
bond(m309,a8,a9,1).
bond(m309,a8,a24,1).
bond(m309,a8,a25,1).
bond(m309,a9,a10,1).
bond(m309,a9,a26,1).
bond(m309,a9,a27,1).
bond(m309,a10,a11,2).
bond(m309,a10,a12,1).
bond(m309,a12,a13,1).
bond(m309,a13,a14,1).
bond(m309,a13,a28,1).
bond(m309,a13,a29,1).
bond(m309,a14,a30,1).
bond(m309,a14,a31,1).
bond(m309,a14,a32,1).
atm(m30,a1,o,o3,2.426,0.000,0.000,-0.269).
atm(m30,a2,c,c3,1.240,0.780,0.000,0.067).
atm(m30,a3,c,c3,0.063,-0.183,0.000,-0.121).
atm(m30,a4,c,c3,3.612,0.780,0.000,0.065).
atm(m30,a5,c,c3,4.783,-0.185,0.000,-0.120).
atm(m30,a6,h,h,1.226,1.440,0.890,0.025).
atm(m30,a7,h,h,1.227,1.440,-0.890,0.025).
atm(m30,a8,h,h,0.375,-1.238,0.000,0.060).
atm(m30,a9,h,h,-0.572,-0.038,0.883,0.039).
atm(m30,a10,h,h,-0.572,-0.039,-0.883,0.039).
atm(m30,a11,h,h,3.635,1.437,-0.892,0.026).
atm(m30,a12,h,h,3.634,1.438,0.891,0.026).
atm(m30,a13,h,h,5.731,0.368,0.000,0.041).
atm(m30,a14,h,h,4.778,-0.836,0.884,0.048).
atm(m30,a15,h,h,4.778,-0.836,-0.883,0.048).
bond(m30,a1,a2,1).
bond(m30,a1,a4,1).
bond(m30,a2,a3,1).
bond(m30,a2,a6,1).
bond(m30,a2,a7,1).
bond(m30,a3,a8,1).
bond(m30,a3,a9,1).
bond(m30,a3,a10,1).
bond(m30,a4,a5,1).
bond(m30,a4,a11,1).
bond(m30,a4,a12,1).
bond(m30,a5,a13,1).
bond(m30,a5,a14,1).
bond(m30,a5,a15,1).
atm(m310,a1,o,o3,0.000,0.699,0.000,-0.308).
atm(m310,a2,c,c3,1.168,-0.077,-0.004,0.064).
atm(m310,a3,c,c3,2.328,0.619,0.722,-0.146).
atm(m310,a4,n,n3,3.523,-0.251,0.719,-0.028).
atm(m310,a5,h,h,0.189,1.498,-0.476,0.183).
atm(m310,a6,h,h,0.849,-0.999,0.515,0.054).
atm(m310,a7,h,h,1.447,-0.352,-1.039,0.039).
atm(m310,a8,h,h,2.601,1.558,0.199,0.053).
atm(m310,a9,h,h,2.011,0.921,1.744,0.040).
atm(m310,a10,h,h,4.263,0.206,1.209,0.026).
atm(m310,a11,h,h,3.312,-1.113,1.177,0.024).
bond(m310,a1,a2,1).
bond(m310,a1,a5,1).
bond(m310,a2,a3,1).
bond(m310,a2,a6,1).
bond(m310,a2,a7,1).
bond(m310,a3,a4,1).
bond(m310,a3,a8,1).
bond(m310,a3,a9,1).
bond(m310,a4,a10,1).
bond(m310,a4,a11,1).
atm(m311,a1,c,c3,4.853,0.000,0.000,-0.117).
atm(m311,a2,c,c2,3.550,0.748,0.000,0.374).
atm(m311,a3,o,o2,3.385,1.952,0.001,-0.383).
atm(m311,a4,o,o3,2.465,-0.080,-0.001,-0.275).
atm(m311,a5,c,c3,1.160,0.502,-0.001,0.081).
atm(m311,a6,c,c3,0.167,-0.650,-0.002,-0.126).
atm(m311,a7,h,h,5.705,0.691,0.003,0.070).
atm(m311,a8,h,h,4.935,-0.644,0.885,0.068).
atm(m311,a9,h,h,4.937,-0.640,-0.888,0.068).
atm(m311,a10,h,h,1.045,1.145,0.891,0.047).
atm(m311,a11,h,h,1.046,1.147,-0.892,0.047).
atm(m311,a12,h,h,0.652,-1.637,-0.003,0.059).
atm(m311,a13,h,h,-0.484,-0.616,0.881,0.043).
atm(m311,a14,h,h,-0.484,-0.614,-0.886,0.043).
bond(m311,a1,a2,1).
bond(m311,a1,a7,1).
bond(m311,a1,a8,1).
bond(m311,a1,a9,1).
bond(m311,a2,a3,2).
bond(m311,a2,a4,1).
bond(m311,a4,a5,1).
bond(m311,a5,a6,1).
bond(m311,a5,a10,1).
bond(m311,a5,a11,1).
bond(m311,a6,a12,1).
bond(m311,a6,a13,1).
bond(m311,a6,a14,1).
atm(m312,a1,n,n3,2.426,2.800,0.000,-0.046).
atm(m312,a2,c,c3,3.622,1.925,-0.056,-0.126).
atm(m312,a3,c,c3,3.442,0.692,-0.970,0.047).
atm(m312,a4,c,c3,4.687,0.437,-1.809,-0.116).
atm(m312,a5,o,o3,2.367,0.876,-1.895,-0.258).
atm(m312,a6,c,c3,1.098,1.092,-1.289,0.048).
atm(m312,a7,c,c3,0.404,-0.221,-0.942,-0.141).
atm(m312,a8,c,c3,1.172,2.020,-0.059,-0.127).
atm(m312,a9,h,h,2.449,3.451,-0.757,0.051).
atm(m312,a10,h,h,3.831,1.597,0.981,0.061).
atm(m312,a11,h,h,4.490,2.538,-0.369,0.064).
atm(m312,a12,h,h,3.216,-0.209,-0.348,0.052).
atm(m312,a13,h,h,5.559,0.289,-1.160,0.044).
atm(m312,a14,h,h,4.577,-0.461,-2.431,0.050).
atm(m312,a15,h,h,4.911,1.275,-2.483,0.050).
atm(m312,a16,h,h,0.566,1.588,-2.134,0.069).
atm(m312,a17,h,h,0.330,-0.880,-1.817,0.053).
atm(m312,a18,h,h,0.936,-0.779,-0.159,0.046).
atm(m312,a19,h,h,-0.614,-0.031,-0.580,0.047).
atm(m312,a20,h,h,0.319,2.725,-0.053,0.065).
atm(m312,a21,h,h,1.104,1.439,0.883,0.067).
bond(m312,a1,a2,1).
bond(m312,a1,a8,1).
bond(m312,a1,a9,1).
bond(m312,a2,a3,1).
bond(m312,a2,a10,1).
bond(m312,a2,a11,1).
bond(m312,a3,a4,1).
bond(m312,a3,a5,1).
bond(m312,a3,a12,1).
bond(m312,a4,a13,1).
bond(m312,a4,a14,1).
bond(m312,a4,a15,1).
bond(m312,a5,a6,1).
bond(m312,a6,a7,1).
bond(m312,a6,a8,1).
bond(m312,a6,a16,1).
bond(m312,a7,a17,1).
bond(m312,a7,a18,1).
bond(m312,a7,a19,1).
bond(m312,a8,a20,1).
bond(m312,a8,a21,1).
atm(m313,a1,c,c3,7.268,0.698,0.000,-0.111).
atm(m313,a2,c,c3,5.965,-0.070,0.001,-0.049).
atm(m313,a3,c,car,4.720,0.759,0.002,-0.064).
atm(m313,a4,c,car,3.495,0.087,0.003,-0.122).
atm(m313,a5,c,car,2.286,0.787,0.003,-0.064).
atm(m313,a6,c,c3,1.021,-0.012,0.005,-0.048).
atm(m313,a7,c,c3,-0.279,0.769,0.007,-0.118).
atm(m313,a8,c,car,2.314,2.181,0.002,-0.119).
atm(m313,a9,c,car,3.528,2.856,0.001,-0.090).
atm(m313,a10,c,car,4.727,2.154,0.000,-0.114).
atm(m313,a11,h,h,8.123,0.009,-0.001,0.039).
atm(m313,a12,h,h,7.367,1.340,-0.886,0.042).
atm(m313,a13,h,h,7.369,1.339,0.886,0.042).
atm(m313,a14,h,h,5.933,-0.739,-0.883,0.055).
atm(m313,a15,h,h,5.934,-0.739,0.885,0.055).
atm(m313,a16,h,h,3.483,-1.010,0.004,0.106).
atm(m313,a17,h,h,1.048,-0.685,-0.877,0.055).
atm(m313,a18,h,h,1.051,-0.685,0.886,0.055).
atm(m313,a19,h,h,-0.126,1.860,0.004,0.051).
atm(m313,a20,h,h,-0.891,0.534,-0.873,0.038).
atm(m313,a21,h,h,-0.887,0.538,0.891,0.038).
atm(m313,a22,h,h,1.370,2.745,0.002,0.114).
atm(m313,a23,h,h,3.540,3.951,0.000,0.100).
atm(m313,a24,h,h,5.674,2.705,-0.001,0.110).
bond(m313,a1,a2,1).
bond(m313,a1,a11,1).
bond(m313,a1,a12,1).
bond(m313,a1,a13,1).
bond(m313,a2,a3,1).
bond(m313,a2,a14,1).
bond(m313,a2,a15,1).
bond(m313,a3,a4,ar).
bond(m313,a3,a10,ar).
bond(m313,a4,a5,ar).
bond(m313,a4,a16,1).
bond(m313,a5,a6,1).
bond(m313,a5,a8,ar).
bond(m313,a6,a7,1).
bond(m313,a6,a17,1).
bond(m313,a6,a18,1).
bond(m313,a7,a19,1).
bond(m313,a7,a20,1).
bond(m313,a7,a21,1).
bond(m313,a8,a9,ar).
bond(m313,a8,a22,1).
bond(m313,a9,a10,ar).
bond(m313,a9,a23,1).
bond(m313,a10,a24,1).
atm(m314,a1,cl,cl,0.000,0.000,0.000,-0.060).
atm(m314,a2,c,c3,1.538,0.890,0.000,-0.074).
atm(m314,a3,c,c3,2.675,-0.106,-0.001,-0.143).
atm(m314,a4,c,c3,4.012,0.600,0.000,-0.074).
atm(m314,a5,cl,cl,5.302,-0.621,0.001,-0.060).
atm(m314,a6,h,h,1.564,1.545,-0.889,0.063).
atm(m314,a7,h,h,1.564,1.544,0.890,0.063).
atm(m314,a8,h,h,2.597,-0.773,0.881,0.079).
atm(m314,a9,h,h,2.597,-0.772,-0.883,0.079).
atm(m314,a10,h,h,4.138,1.243,-0.890,0.063).
atm(m314,a11,h,h,4.137,1.243,0.890,0.063).
bond(m314,a1,a2,1).
bond(m314,a2,a3,1).
bond(m314,a2,a6,1).
bond(m314,a2,a7,1).
bond(m314,a3,a4,1).
bond(m314,a3,a8,1).
bond(m314,a3,a9,1).
bond(m314,a4,a5,1).
bond(m314,a4,a10,1).
bond(m314,a4,a11,1).
atm(m315,a1,c,c3,0.000,0.000,0.000,-0.111).
atm(m315,a2,c,c3,1.314,0.759,0.000,-0.096).
atm(m315,a3,c,c3,2.514,-0.175,0.001,-0.101).
atm(m315,a4,c,c3,3.819,0.606,0.001,-0.100).
atm(m315,a5,c,c3,5.012,-0.335,0.001,-0.094).
atm(m315,a6,c,c2,6.327,0.397,0.001,0.378).
atm(m315,a7,o,o2,6.565,1.591,0.001,-0.395).
atm(m315,a8,o,o3,7.418,-0.410,0.001,-0.314).
atm(m315,a9,h,h,0.143,-1.089,0.000,0.041).
atm(m315,a10,h,h,-0.608,0.240,0.882,0.037).
atm(m315,a11,h,h,-0.608,0.241,-0.882,0.037).
atm(m315,a12,h,h,1.369,1.430,-0.880,0.050).
atm(m315,a13,h,h,1.369,1.430,0.880,0.050).
atm(m315,a14,h,h,2.473,-0.845,0.884,0.051).
atm(m315,a15,h,h,2.473,-0.845,-0.882,0.051).
atm(m315,a16,h,h,3.862,1.276,-0.882,0.065).
atm(m315,a17,h,h,3.862,1.276,0.883,0.065).
atm(m315,a18,h,h,4.976,-1.004,0.886,0.079).
atm(m315,a19,h,h,4.977,-1.004,-0.883,0.079).
atm(m315,a20,h,h,8.210,0.119,0.001,0.227).
bond(m315,a1,a2,1).
bond(m315,a1,a9,1).
bond(m315,a1,a10,1).
bond(m315,a1,a11,1).
bond(m315,a2,a3,1).
bond(m315,a2,a12,1).
bond(m315,a2,a13,1).
bond(m315,a3,a4,1).
bond(m315,a3,a14,1).
bond(m315,a3,a15,1).
bond(m315,a4,a5,1).
bond(m315,a4,a16,1).
bond(m315,a4,a17,1).
bond(m315,a5,a6,1).
bond(m315,a5,a18,1).
bond(m315,a5,a19,1).
bond(m315,a6,a7,2).
bond(m315,a6,a8,1).
bond(m315,a8,a20,1).
atm(m316,a1,c,c3,6.064,2.803,0.000,-0.146).
atm(m316,a2,c,c2,7.350,2.032,-0.064,0.349).
atm(m316,a3,o,o2,8.447,2.443,-0.375,-0.337).
atm(m316,a4,o,o3,7.451,0.706,0.259,-0.237).
atm(m316,a5,c,c3,6.278,-0.007,0.614,0.044).
atm(m316,a6,c,c3,5.569,-0.584,-0.609,-0.138).
atm(m316,a7,c,c3,4.400,-1.456,-0.183,-0.096).
atm(m316,a8,c,c3,3.680,-2.037,-1.389,-0.103).
atm(m316,a9,c,c3,2.509,-2.911,-0.966,-0.097).
atm(m316,a10,c,c3,1.791,-3.490,-2.164,-0.110).
atm(m316,a11,h,h,6.246,3.864,0.210,0.078).
atm(m316,a12,h,h,5.533,2.734,-0.959,0.072).
atm(m316,a13,h,h,5.398,2.401,0.782,0.066).
atm(m316,a14,h,h,6.677,-0.800,1.270,0.066).
atm(m316,a15,h,h,5.590,0.632,1.211,0.042).
atm(m316,a16,h,h,5.215,0.238,-1.266,0.053).
atm(m316,a17,h,h,6.280,-1.170,-1.224,0.071).
atm(m316,a18,h,h,4.759,-2.274,0.474,0.054).
atm(m316,a19,h,h,3.692,-0.867,0.434,0.048).
atm(m316,a20,h,h,3.322,-1.220,-2.047,0.051).
atm(m316,a21,h,h,4.387,-2.626,-2.006,0.055).
atm(m316,a22,h,h,2.868,-3.727,-0.308,0.050).
atm(m316,a23,h,h,1.802,-2.321,-0.349,0.048).
atm(m316,a24,h,h,2.459,-4.111,-2.776,0.039).
atm(m316,a25,h,h,0.947,-4.120,-1.856,0.039).
atm(m316,a26,h,h,1.391,-2.702,-2.817,0.038).
bond(m316,a1,a2,1).
bond(m316,a1,a11,1).
bond(m316,a1,a12,1).
bond(m316,a1,a13,1).
bond(m316,a2,a3,2).
bond(m316,a2,a4,1).
bond(m316,a4,a5,1).
bond(m316,a5,a6,1).
bond(m316,a5,a14,1).
bond(m316,a5,a15,1).
bond(m316,a6,a7,1).
bond(m316,a6,a16,1).
bond(m316,a6,a17,1).
bond(m316,a7,a8,1).
bond(m316,a7,a18,1).
bond(m316,a7,a19,1).
bond(m316,a8,a9,1).
bond(m316,a8,a20,1).
bond(m316,a8,a21,1).
bond(m316,a9,a10,1).
bond(m316,a9,a22,1).
bond(m316,a9,a23,1).
bond(m316,a10,a24,1).
bond(m316,a10,a25,1).
bond(m316,a10,a26,1).
atm(m317,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m317,a2,c,c3,1.283,0.774,-0.202,-0.094).
atm(m317,a3,c,c3,2.356,0.336,0.781,-0.116).
atm(m317,a4,c,c3,3.640,1.130,0.560,0.062).
atm(m317,a5,o,o3,4.586,0.661,1.509,-0.267).
atm(m317,a6,c,c3,5.838,1.323,1.420,0.062).
atm(m317,a7,c,c3,6.741,0.714,2.489,-0.116).
atm(m317,a8,c,c3,8.112,1.370,2.465,-0.094).
atm(m317,a9,c,c3,9.023,0.782,3.518,-0.109).
atm(m317,a10,h,h,0.152,-1.079,-0.140,0.039).
atm(m317,a11,h,h,-0.404,0.143,1.011,0.039).
atm(m317,a12,h,h,-0.773,0.318,-0.711,0.037).
atm(m317,a13,h,h,1.645,0.641,-1.241,0.047).
atm(m317,a14,h,h,1.090,1.860,-0.092,0.047).
atm(m317,a15,h,h,1.995,0.468,1.821,0.062).
atm(m317,a16,h,h,2.551,-0.750,0.671,0.062).
atm(m317,a17,h,h,4.028,0.987,-0.468,0.028).
atm(m317,a18,h,h,3.467,2.216,0.697,0.028).
atm(m317,a19,h,h,6.270,1.189,0.408,0.028).
atm(m317,a20,h,h,5.707,2.412,1.579,0.028).
atm(m317,a21,h,h,6.282,0.830,3.492,0.062).
atm(m317,a22,h,h,6.840,-0.379,2.333,0.062).
atm(m317,a23,h,h,8.568,1.254,1.462,0.047).
atm(m317,a24,h,h,8.011,2.463,2.620,0.047).
atm(m317,a25,h,h,10.013,1.256,3.499,0.037).
atm(m317,a26,h,h,8.614,0.915,4.528,0.039).
atm(m317,a27,h,h,9.173,-0.296,3.367,0.039).
bond(m317,a1,a2,1).
bond(m317,a1,a10,1).
bond(m317,a1,a11,1).
bond(m317,a1,a12,1).
bond(m317,a2,a3,1).
bond(m317,a2,a13,1).
bond(m317,a2,a14,1).
bond(m317,a3,a4,1).
bond(m317,a3,a15,1).
bond(m317,a3,a16,1).
bond(m317,a4,a5,1).
bond(m317,a4,a17,1).
bond(m317,a4,a18,1).
bond(m317,a5,a6,1).
bond(m317,a6,a7,1).
bond(m317,a6,a19,1).
bond(m317,a6,a20,1).
bond(m317,a7,a8,1).
bond(m317,a7,a21,1).
bond(m317,a7,a22,1).
bond(m317,a8,a9,1).
bond(m317,a8,a23,1).
bond(m317,a8,a24,1).
bond(m317,a9,a25,1).
bond(m317,a9,a26,1).
bond(m317,a9,a27,1).
atm(m318,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m318,a2,c,c3,1.207,0.864,-0.288,-0.098).
atm(m318,a3,c,c3,2.450,0.334,0.409,-0.103).
atm(m318,a4,c,c3,3.662,1.204,0.118,-0.102).
atm(m318,a5,c,c3,4.904,0.674,0.816,-0.102).
atm(m318,a6,c,c3,6.116,1.543,0.525,-0.102).
atm(m318,a7,c,c3,7.357,1.013,1.223,-0.099).
atm(m318,a8,c,c3,8.568,1.884,0.930,-0.118).
atm(m318,a9,c,c3,9.805,1.339,1.639,0.075).
atm(m318,a10,o,o3,10.885,2.189,1.325,-0.311).
atm(m318,a11,h,h,0.150,-1.033,-0.341,0.038).
atm(m318,a12,h,h,-0.221,-0.041,1.075,0.038).
atm(m318,a13,h,h,-0.895,0.385,-0.505,0.037).
atm(m318,a14,h,h,1.382,0.917,-1.381,0.049).
atm(m318,a15,h,h,1.011,1.907,0.031,0.049).
atm(m318,a16,h,h,2.275,0.281,1.503,0.051).
atm(m318,a17,h,h,2.646,-0.709,0.089,0.051).
atm(m318,a18,h,h,3.836,1.257,-0.975,0.051).
atm(m318,a19,h,h,3.465,2.247,0.438,0.051).
atm(m318,a20,h,h,4.730,0.621,1.910,0.051).
atm(m318,a21,h,h,5.101,-0.370,0.497,0.051).
atm(m318,a22,h,h,6.290,1.595,-0.569,0.052).
atm(m318,a23,h,h,5.919,2.587,0.843,0.052).
atm(m318,a24,h,h,7.183,0.962,2.317,0.050).
atm(m318,a25,h,h,7.554,-0.030,0.905,0.050).
atm(m318,a26,h,h,8.745,1.936,-0.163,0.063).
atm(m318,a27,h,h,8.373,2.928,1.247,0.063).
atm(m318,a28,h,h,9.649,1.307,2.736,0.020).
atm(m318,a29,h,h,10.024,0.304,1.310,0.021).
atm(m318,a30,h,h,11.642,1.839,1.774,0.184).
bond(m318,a1,a2,1).
bond(m318,a1,a11,1).
bond(m318,a1,a12,1).
bond(m318,a1,a13,1).
bond(m318,a2,a3,1).
bond(m318,a2,a14,1).
bond(m318,a2,a15,1).
bond(m318,a3,a4,1).
bond(m318,a3,a16,1).
bond(m318,a3,a17,1).
bond(m318,a4,a5,1).
bond(m318,a4,a18,1).
bond(m318,a4,a19,1).
bond(m318,a5,a6,1).
bond(m318,a5,a20,1).
bond(m318,a5,a21,1).
bond(m318,a6,a7,1).
bond(m318,a6,a22,1).
bond(m318,a6,a23,1).
bond(m318,a7,a8,1).
bond(m318,a7,a24,1).
bond(m318,a7,a25,1).
bond(m318,a8,a9,1).
bond(m318,a8,a26,1).
bond(m318,a8,a27,1).
bond(m318,a9,a10,1).
bond(m318,a9,a28,1).
bond(m318,a9,a29,1).
bond(m318,a10,a30,1).
atm(m319,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m319,a2,c,c3,1.295,0.752,-0.211,-0.098).
atm(m319,a3,c,c3,2.351,0.336,0.801,-0.103).
atm(m319,a4,c,c3,3.651,1.094,0.587,-0.101).
atm(m319,a5,c,c3,4.706,0.675,1.599,-0.104).
atm(m319,a6,c,c3,6.002,1.445,1.375,-0.089).
atm(m319,a7,n,n3,7.056,0.989,2.317,-0.068).
atm(m319,a8,c,c3,8.309,1.776,2.199,-0.089).
atm(m319,a9,c,c3,9.325,1.336,3.246,-0.104).
atm(m319,a10,c,c3,10.631,2.095,3.079,-0.101).
atm(m319,a11,c,c3,11.654,1.668,4.119,-0.103).
atm(m319,a12,c,c3,12.962,2.425,3.954,-0.098).
atm(m319,a13,c,c3,13.981,2.002,4.988,-0.109).
atm(m319,a14,h,h,0.140,-1.084,-0.101,0.038).
atm(m319,a15,h,h,-0.416,0.183,1.000,0.038).
atm(m319,a16,h,h,-0.760,0.302,-0.732,0.037).
atm(m319,a17,h,h,1.670,0.579,-1.239,0.049).
atm(m319,a18,h,h,1.114,1.843,-0.141,0.048).
atm(m319,a19,h,h,1.976,0.509,1.830,0.051).
atm(m319,a20,h,h,2.532,-0.755,0.731,0.053).
atm(m319,a21,h,h,4.024,0.921,-0.443,0.052).
atm(m319,a22,h,h,3.469,2.185,0.658,0.049).
atm(m319,a23,h,h,4.326,0.844,2.628,0.049).
atm(m319,a24,h,h,4.887,-0.417,1.524,0.064).
atm(m319,a25,h,h,6.382,1.270,0.348,0.057).
atm(m319,a26,h,h,5.815,2.539,1.452,0.031).
atm(m319,a27,h,h,6.714,1.032,3.255,0.047).
atm(m319,a28,h,h,8.708,1.607,1.178,0.057).
atm(m319,a29,h,h,8.125,2.871,2.280,0.031).
atm(m319,a30,h,h,8.925,1.499,4.268,0.049).
atm(m319,a31,h,h,9.511,0.245,3.170,0.064).
atm(m319,a32,h,h,11.037,1.931,2.060,0.052).
atm(m319,a33,h,h,10.449,3.187,3.154,0.049).
atm(m319,a34,h,h,11.250,1.832,5.138,0.051).
atm(m319,a35,h,h,11.837,0.577,4.045,0.053).
atm(m319,a36,h,h,13.366,2.261,2.935,0.049).
atm(m319,a37,h,h,12.778,3.516,4.028,0.048).
atm(m319,a38,h,h,14.924,2.550,4.866,0.037).
atm(m319,a39,h,h,13.623,2.189,6.009,0.038).
atm(m319,a40,h,h,14.212,0.931,4.915,0.038).
bond(m319,a1,a2,1).
bond(m319,a1,a14,1).
bond(m319,a1,a15,1).
bond(m319,a1,a16,1).
bond(m319,a2,a3,1).
bond(m319,a2,a17,1).
bond(m319,a2,a18,1).
bond(m319,a3,a4,1).
bond(m319,a3,a19,1).
bond(m319,a3,a20,1).
bond(m319,a4,a5,1).
bond(m319,a4,a21,1).
bond(m319,a4,a22,1).
bond(m319,a5,a6,1).
bond(m319,a5,a23,1).
bond(m319,a5,a24,1).
bond(m319,a6,a7,1).
bond(m319,a6,a25,1).
bond(m319,a6,a26,1).
bond(m319,a7,a8,1).
bond(m319,a7,a27,1).
bond(m319,a8,a9,1).
bond(m319,a8,a28,1).
bond(m319,a8,a29,1).
bond(m319,a9,a10,1).
bond(m319,a9,a30,1).
bond(m319,a9,a31,1).
bond(m319,a10,a11,1).
bond(m319,a10,a32,1).
bond(m319,a10,a33,1).
bond(m319,a11,a12,1).
bond(m319,a11,a34,1).
bond(m319,a11,a35,1).
bond(m319,a12,a13,1).
bond(m319,a12,a36,1).
bond(m319,a12,a37,1).
bond(m319,a13,a38,1).
bond(m319,a13,a39,1).
bond(m319,a13,a40,1).
atm(m31,a1,o,o2,7.880,3.943,0.799,-0.362).
atm(m31,a2,c,c2,6.771,3.921,1.308,0.265).
atm(m31,a3,c,c3,5.840,5.137,1.257,-0.133).
atm(m31,a4,c,c3,4.381,4.979,1.748,0.098).
atm(m31,a5,o,o3,3.560,5.734,0.831,-0.265).
atm(m31,a6,c,c3,2.151,5.630,0.973,0.104).
atm(m31,a7,c,c2,1.506,4.339,0.521,-0.177).
atm(m31,a8,c,c2,1.684,3.185,1.180,-0.129).
atm(m31,a9,c,c3,1.223,1.822,0.760,-0.018).
atm(m31,a10,n,n3,2.252,0.732,0.880,-0.089).
atm(m31,a11,c,c3,3.130,0.580,-0.310,-0.076).
atm(m31,a12,c,c3,4.513,1.102,0.058,-0.131).
atm(m31,a13,c,c3,4.600,1.143,1.609,-0.021).
atm(m31,a14,c,c3,3.162,0.773,2.090,-0.016).
atm(m31,a15,c,c3,2.624,1.828,3.062,-0.114).
atm(m31,a16,c,c3,2.611,3.192,2.356,-0.035).
atm(m31,a17,c,c3,3.973,3.521,1.692,-0.162).
atm(m31,a18,c,c3,4.943,2.532,2.252,-0.081).
atm(m31,a19,n,nam,6.394,2.764,2.058,0.032).
atm(m31,a20,c,car,6.939,1.411,2.006,-0.049).
atm(m31,a21,c,car,8.261,1.026,2.141,-0.083).
atm(m31,a22,c,car,8.532,-0.343,2.256,-0.089).
atm(m31,a23,c,car,7.514,-1.284,2.248,-0.115).
atm(m31,a24,c,car,6.177,-0.899,2.086,-0.067).
atm(m31,a25,c,car,5.893,0.443,1.951,-0.106).
atm(m31,a26,h,h,6.329,5.941,1.844,0.083).
atm(m31,a27,h,h,5.845,5.500,0.206,0.098).
atm(m31,a28,h,h,4.256,5.410,2.769,0.059).
atm(m31,a29,h,h,1.847,5.866,2.013,0.039).
atm(m31,a30,h,h,1.838,6.468,0.325,0.061).
atm(m31,a31,h,h,0.887,4.387,-0.381,0.111).
atm(m31,a32,h,h,0.849,1.833,-0.284,0.064).
atm(m31,a33,h,h,0.369,1.515,1.397,0.068).
atm(m31,a34,h,h,3.156,-0.502,-0.544,0.061).
atm(m31,a35,h,h,2.713,1.085,-1.201,0.060).
atm(m31,a36,h,h,5.301,0.457,-0.376,0.078).
atm(m31,a37,h,h,4.686,2.109,-0.380,0.067).
atm(m31,a38,h,h,3.150,-0.246,2.540,0.084).
atm(m31,a39,h,h,3.256,1.871,3.974,0.069).
atm(m31,a40,h,h,1.608,1.566,3.417,0.073).
atm(m31,a41,h,h,2.322,3.977,3.097,0.084).
atm(m31,a42,h,h,3.905,3.317,0.579,0.113).
atm(m31,a43,h,h,4.844,2.461,3.372,0.099).
atm(m31,a44,h,h,9.073,1.762,2.156,0.129).
atm(m31,a45,h,h,9.572,-0.671,2.363,0.104).
atm(m31,a46,h,h,7.754,-2.347,2.360,0.104).
atm(m31,a47,h,h,5.376,-1.644,2.056,0.111).
bond(m31,a1,a2,2).
bond(m31,a2,a3,1).
bond(m31,a2,a19,1).
bond(m31,a3,a4,1).
bond(m31,a3,a26,1).
bond(m31,a3,a27,1).
bond(m31,a4,a5,1).
bond(m31,a4,a17,1).
bond(m31,a4,a28,1).
bond(m31,a5,a6,1).
bond(m31,a6,a7,1).
bond(m31,a6,a29,1).
bond(m31,a6,a30,1).
bond(m31,a7,a8,2).
bond(m31,a7,a31,1).
bond(m31,a8,a9,1).
bond(m31,a8,a16,1).
bond(m31,a9,a10,1).
bond(m31,a9,a32,1).
bond(m31,a9,a33,1).
bond(m31,a10,a11,1).
bond(m31,a10,a14,1).
bond(m31,a11,a12,1).
bond(m31,a11,a34,1).
bond(m31,a11,a35,1).
bond(m31,a12,a13,1).
bond(m31,a12,a36,1).
bond(m31,a12,a37,1).
bond(m31,a13,a14,1).
bond(m31,a13,a18,1).
bond(m31,a13,a25,1).
bond(m31,a14,a15,1).
bond(m31,a14,a38,1).
bond(m31,a15,a16,1).
bond(m31,a15,a39,1).
bond(m31,a15,a40,1).
bond(m31,a16,a17,1).
bond(m31,a16,a41,1).
bond(m31,a17,a18,1).
bond(m31,a17,a42,1).
bond(m31,a18,a19,1).
bond(m31,a18,a43,1).
bond(m31,a19,a20,1).
bond(m31,a20,a21,ar).
bond(m31,a20,a25,ar).
bond(m31,a21,a22,ar).
bond(m31,a21,a44,1).
bond(m31,a22,a23,ar).
bond(m31,a22,a45,1).
bond(m31,a23,a24,ar).
bond(m31,a23,a46,1).
bond(m31,a24,a25,ar).
bond(m31,a24,a47,1).
atm(m320,a1,o,o3,0.000,0.000,0.000,-0.298).
atm(m320,a2,c,c3,1.216,0.695,0.000,0.059).
atm(m320,a3,c,c3,2.409,0.000,0.000,-0.143).
atm(m320,a4,c,c3,3.625,0.695,0.000,-0.093).
atm(m320,a5,c,c3,4.819,0.000,0.000,-0.099).
atm(m320,a6,c,c3,6.034,0.695,0.000,-0.099).
atm(m320,a7,c,c3,7.228,0.000,0.000,-0.098).
atm(m320,a8,c,c3,8.444,0.695,0.000,-0.104).
atm(m320,a9,c,c3,9.638,0.000,0.000,-0.065).
atm(m320,a10,c,c2,10.853,0.695,0.000,-0.161).
atm(m320,a11,c,c2,12.069,0.000,0.000,-0.154).
atm(m320,a12,c,c3,13.263,0.695,0.000,-0.067).
atm(m320,a13,c,c3,14.478,0.000,0.000,-0.104).
atm(m320,a14,c,c3,15.672,0.695,0.000,-0.099).
atm(m320,a15,c,c3,16.888,0.000,0.000,-0.099).
atm(m320,a16,c,c3,18.082,0.695,0.000,-0.099).
atm(m320,a17,c,c3,19.297,0.000,0.000,-0.103).
atm(m320,a18,c,c3,20.491,0.695,0.000,-0.107).
atm(m320,a19,c,c3,21.706,0.000,0.000,-0.105).
atm(m320,a20,h,h,0.250,-0.917,0.000,0.184).
atm(m320,a21,h,h,1.218,1.324,-0.890,0.038).
atm(m320,a22,h,h,1.218,1.324,0.890,0.038).
atm(m320,a23,h,h,2.407,-0.629,0.890,0.053).
atm(m320,a24,h,h,2.407,-0.629,-0.890,0.053).
atm(m320,a25,h,h,3.628,1.324,-0.890,0.053).
atm(m320,a26,h,h,3.628,1.324,0.890,0.053).
atm(m320,a27,h,h,4.816,-0.629,0.890,0.050).
atm(m320,a28,h,h,4.816,-0.629,-0.890,0.050).
atm(m320,a29,h,h,6.037,1.324,-0.890,0.050).
atm(m320,a30,h,h,6.037,1.324,0.890,0.050).
atm(m320,a31,h,h,7.226,-0.629,0.890,0.049).
atm(m320,a32,h,h,7.226,-0.629,-0.890,0.049).
atm(m320,a33,h,h,8.446,1.324,-0.890,0.051).
atm(m320,a34,h,h,8.446,1.324,0.890,0.051).
atm(m320,a35,h,h,9.635,-0.629,0.890,0.059).
atm(m320,a36,h,h,9.635,-0.629,-0.890,0.059).
atm(m320,a37,h,h,10.853,1.785,0.000,0.105).
atm(m320,a38,h,h,12.073,-1.090,0.000,0.106).
atm(m320,a39,h,h,13.260,1.324,-0.890,0.061).
atm(m320,a40,h,h,13.260,1.324,0.890,0.061).
atm(m320,a41,h,h,14.481,-0.629,0.890,0.051).
atm(m320,a42,h,h,14.481,-0.629,-0.890,0.051).
atm(m320,a43,h,h,15.670,1.324,-0.890,0.049).
atm(m320,a44,h,h,15.670,1.324,0.890,0.049).
atm(m320,a45,h,h,16.890,-0.629,0.890,0.049).
atm(m320,a46,h,h,16.890,-0.629,-0.890,0.049).
atm(m320,a47,h,h,18.079,1.324,-0.890,0.049).
atm(m320,a48,h,h,18.079,1.324,0.890,0.049).
atm(m320,a49,h,h,19.300,-0.629,0.890,0.049).
atm(m320,a50,h,h,19.300,-0.629,-0.890,0.049).
atm(m320,a51,h,h,20.488,1.324,-0.890,0.048).
atm(m320,a52,h,h,20.488,1.324,0.890,0.048).
atm(m320,a53,h,h,22.532,0.712,0.000,0.045).
atm(m320,a54,h,h,21.767,-0.626,0.890,0.039).
atm(m320,a55,h,h,21.767,-0.626,-0.890,0.039).
bond(m320,a1,a2,1).
bond(m320,a1,a20,1).
bond(m320,a2,a3,1).
bond(m320,a2,a21,1).
bond(m320,a2,a22,1).
bond(m320,a3,a4,1).
bond(m320,a3,a23,1).
bond(m320,a3,a24,1).
bond(m320,a4,a5,1).
bond(m320,a4,a25,1).
bond(m320,a4,a26,1).
bond(m320,a5,a6,1).
bond(m320,a5,a27,1).
bond(m320,a5,a28,1).
bond(m320,a6,a7,1).
bond(m320,a6,a29,1).
bond(m320,a6,a30,1).
bond(m320,a7,a8,1).
bond(m320,a7,a31,1).
bond(m320,a7,a32,1).
bond(m320,a8,a9,1).
bond(m320,a8,a33,1).
bond(m320,a8,a34,1).
bond(m320,a9,a10,1).
bond(m320,a9,a35,1).
bond(m320,a9,a36,1).
bond(m320,a10,a11,2).
bond(m320,a10,a37,1).
bond(m320,a11,a12,1).
bond(m320,a11,a38,1).
bond(m320,a12,a13,1).
bond(m320,a12,a39,1).
bond(m320,a12,a40,1).
bond(m320,a13,a14,1).
bond(m320,a13,a41,1).
bond(m320,a13,a42,1).
bond(m320,a14,a15,1).
bond(m320,a14,a43,1).
bond(m320,a14,a44,1).
bond(m320,a15,a16,1).
bond(m320,a15,a45,1).
bond(m320,a15,a46,1).
bond(m320,a16,a17,1).
bond(m320,a16,a47,1).
bond(m320,a16,a48,1).
bond(m320,a17,a18,1).
bond(m320,a17,a49,1).
bond(m320,a17,a50,1).
bond(m320,a18,a19,1).
bond(m320,a18,a51,1).
bond(m320,a18,a52,1).
bond(m320,a19,a53,1).
bond(m320,a19,a54,1).
bond(m320,a19,a55,1).
atm(m321,a1,c,car,4.848,2.101,0.000,-0.265).
atm(m321,a2,c,c2,6.133,1.365,0.001,0.335).
atm(m321,a3,o,o2,7.221,1.895,0.000,-0.308).
atm(m321,a4,c,car,3.623,1.410,0.001,0.121).
atm(m321,a5,o,o3,3.514,0.050,0.003,-0.205).
atm(m321,a6,c,car,2.402,2.139,0.000,0.043).
atm(m321,a7,o,o3,1.262,1.361,0.001,-0.169).
atm(m321,a8,c,c3,0.012,2.010,0.000,0.039).
atm(m321,a9,c,car,2.431,3.531,-0.002,-0.132).
atm(m321,a10,c,car,3.651,4.205,-0.002,-0.118).
atm(m321,a11,c,car,4.843,3.501,-0.002,-0.038).
atm(m321,a12,h,h,6.069,0.259,0.002,0.030).
atm(m321,a13,h,h,4.394,-0.314,0.003,0.199).
atm(m321,a14,h,h,0.042,3.110,-0.002,0.040).
atm(m321,a15,h,h,-0.510,1.658,-0.895,0.039).
atm(m321,a16,h,h,-0.510,1.662,0.897,0.039).
atm(m321,a17,h,h,1.490,4.101,-0.002,0.119).
atm(m321,a18,h,h,3.661,5.300,-0.004,0.110).
atm(m321,a19,h,h,5.799,4.040,-0.002,0.122).
bond(m321,a1,a2,1).
bond(m321,a1,a4,ar).
bond(m321,a1,a11,ar).
bond(m321,a2,a3,2).
bond(m321,a2,a12,1).
bond(m321,a4,a5,1).
bond(m321,a4,a6,ar).
bond(m321,a5,a13,1).
bond(m321,a6,a7,1).
bond(m321,a6,a9,ar).
bond(m321,a7,a8,1).
bond(m321,a8,a14,1).
bond(m321,a8,a15,1).
bond(m321,a8,a16,1).
bond(m321,a9,a10,ar).
bond(m321,a9,a17,1).
bond(m321,a10,a11,ar).
bond(m321,a10,a18,1).
bond(m321,a11,a19,1).
atm(m322,a1,o,o3,6.068,0.000,0.000,-0.227).
atm(m322,a2,c,car,4.863,0.646,0.000,0.133).
atm(m322,a3,c,car,3.730,-0.173,0.000,-0.190).
atm(m322,a4,c,car,2.470,0.440,0.000,0.133).
atm(m322,a5,o,o3,1.420,-0.453,-0.001,-0.191).
atm(m322,a6,c,c3,0.105,0.054,0.000,0.042).
atm(m322,a7,c,car,2.346,1.835,0.000,-0.233).
atm(m322,a8,c,car,3.491,2.622,0.001,-0.016).
atm(m322,a9,c,car,4.753,2.046,0.001,-0.237).
atm(m322,a10,h,h,6.752,0.658,0.000,0.197).
atm(m322,a11,h,h,3.828,-1.266,-0.001,0.139).
atm(m322,a12,h,h,0.021,1.151,-0.001,0.043).
atm(m322,a13,h,h,-0.376,-0.350,-0.896,0.037).
atm(m322,a14,h,h,-0.376,-0.350,0.896,0.037).
atm(m322,a15,h,h,1.352,2.303,0.000,0.122).
atm(m322,a16,h,h,3.394,3.713,0.001,0.099).
atm(m322,a17,h,h,5.646,2.681,0.001,0.113).
bond(m322,a1,a2,1).
bond(m322,a1,a10,1).
bond(m322,a2,a3,ar).
bond(m322,a2,a9,ar).
bond(m322,a3,a4,ar).
bond(m322,a3,a11,1).
bond(m322,a4,a5,1).
bond(m322,a4,a7,ar).
bond(m322,a5,a6,1).
bond(m322,a6,a12,1).
bond(m322,a6,a13,1).
bond(m322,a6,a14,1).
bond(m322,a7,a8,ar).
bond(m322,a7,a15,1).
bond(m322,a8,a9,ar).
bond(m322,a8,a16,1).
bond(m322,a9,a17,1).
atm(m323,a1,o,o3,6.288,1.207,0.000,-0.227).
atm(m323,a2,c,car,4.920,1.282,0.034,0.061).
atm(m323,a3,c,car,4.232,0.114,-0.329,-0.106).
atm(m323,a4,c,car,2.847,0.108,-0.320,-0.104).
atm(m323,a5,c,car,2.149,1.270,0.053,0.057).
atm(m323,a6,o,o3,0.774,1.129,0.021,-0.191).
atm(m323,a7,c,c3,-0.020,2.239,0.367,0.042).
atm(m323,a8,c,car,2.837,2.430,0.414,-0.149).
atm(m323,a9,c,car,4.227,2.438,0.405,-0.154).
atm(m323,a10,h,h,6.630,2.052,0.264,0.194).
atm(m323,a11,h,h,4.786,-0.786,-0.618,0.120).
atm(m323,a12,h,h,2.299,-0.799,-0.603,0.120).
atm(m323,a13,h,h,0.532,3.149,0.642,0.040).
atm(m323,a14,h,h,-0.652,2.444,-0.502,0.035).
atm(m323,a15,h,h,-0.639,1.919,1.211,0.035).
atm(m323,a16,h,h,2.284,3.335,0.704,0.117).
atm(m323,a17,h,h,4.764,3.351,0.690,0.109).
bond(m323,a1,a2,1).
bond(m323,a1,a10,1).
bond(m323,a2,a3,ar).
bond(m323,a2,a9,ar).
bond(m323,a3,a4,ar).
bond(m323,a3,a11,1).
bond(m323,a4,a5,ar).
bond(m323,a4,a12,1).
bond(m323,a5,a6,1).
bond(m323,a5,a8,ar).
bond(m323,a6,a7,1).
bond(m323,a7,a13,1).
bond(m323,a7,a14,1).
bond(m323,a7,a15,1).
bond(m323,a8,a9,ar).
bond(m323,a8,a16,1).
bond(m323,a9,a17,1).
atm(m324,a1,c,c3,0.000,2.424,0.000,0.042).
atm(m324,a2,o,o3,0.608,1.154,-0.001,-0.192).
atm(m324,a3,c,car,1.988,1.087,-0.001,0.059).
atm(m324,a4,c,car,2.855,2.186,0.000,-0.154).
atm(m324,a5,c,car,4.227,1.982,0.000,-0.099).
atm(m324,a6,c,car,4.733,0.674,-0.001,0.050).
atm(m324,a7,o,o3,6.116,0.608,-0.001,-0.189).
atm(m324,a8,c,c3,6.701,-0.670,-0.002,0.051).
atm(m324,a9,c,car,3.868,-0.426,-0.002,-0.144).
atm(m324,a10,c,car,2.495,-0.220,-0.002,-0.107).
atm(m324,a11,h,h,0.691,3.280,-0.003,0.041).
atm(m324,a12,h,h,-0.630,2.461,-0.894,0.035).
atm(m324,a13,h,h,-0.625,2.463,0.897,0.035).
atm(m324,a14,h,h,2.451,3.209,0.001,0.117).
atm(m324,a15,h,h,4.908,2.840,0.001,0.118).
atm(m324,a16,h,h,7.769,-0.436,-0.002,0.049).
atm(m324,a17,h,h,6.443,-1.247,0.894,0.027).
atm(m324,a18,h,h,6.443,-1.247,-0.898,0.027).
atm(m324,a19,h,h,4.252,-1.452,-0.003,0.114).
atm(m324,a20,h,h,1.814,-1.078,-0.003,0.119).
bond(m324,a1,a2,1).
bond(m324,a1,a11,1).
bond(m324,a1,a12,1).
bond(m324,a1,a13,1).
bond(m324,a2,a3,1).
bond(m324,a3,a4,ar).
bond(m324,a3,a10,ar).
bond(m324,a4,a5,ar).
bond(m324,a4,a14,1).
bond(m324,a5,a6,ar).
bond(m324,a5,a15,1).
bond(m324,a6,a7,1).
bond(m324,a6,a9,ar).
bond(m324,a7,a8,1).
bond(m324,a8,a16,1).
bond(m324,a8,a17,1).
bond(m324,a8,a18,1).
bond(m324,a9,a10,ar).
bond(m324,a9,a19,1).
bond(m324,a10,a20,1).
atm(m325,a1,c,car,0.823,0.265,0.000,-0.168).
atm(m325,a2,c,car,0.045,1.388,0.000,-0.024).
atm(m325,a3,o,o3,0.799,2.554,0.001,-0.081).
atm(m325,a4,c,car,2.127,2.142,0.001,0.018).
atm(m325,a5,c,car,3.256,2.956,0.001,-0.098).
atm(m325,a6,c,car,4.482,2.304,0.001,-0.084).
atm(m325,a7,c,car,4.572,0.904,0.000,-0.125).
atm(m325,a8,c,car,3.441,0.100,0.000,-0.046).
atm(m325,a9,c,car,2.198,0.727,0.000,-0.102).
atm(m325,a10,h,h,0.504,-0.773,0.000,0.135).
atm(m325,a11,h,h,-1.029,1.554,0.000,0.143).
atm(m325,a12,h,h,3.180,4.047,0.001,0.119).
atm(m325,a13,h,h,5.404,2.895,0.001,0.102).
atm(m325,a14,h,h,5.563,0.438,0.000,0.104).
atm(m325,a15,h,h,3.516,-0.992,0.000,0.108).
bond(m325,a1,a2,ar).
bond(m325,a1,a9,ar).
bond(m325,a1,a10,1).
bond(m325,a2,a3,ar).
bond(m325,a2,a11,1).
bond(m325,a3,a4,ar).
bond(m325,a4,a5,ar).
bond(m325,a4,a9,ar).
bond(m325,a5,a6,ar).
bond(m325,a5,a12,1).
bond(m325,a6,a7,ar).
bond(m325,a6,a13,1).
bond(m325,a7,a8,ar).
bond(m325,a7,a14,1).
bond(m325,a8,a9,ar).
bond(m325,a8,a15,1).
atm(m326,a1,c,c3,0.471,2.107,-0.246,-0.108).
atm(m326,a2,c,c3,1.511,3.243,-0.175,-0.108).
atm(m326,a3,n,n3,2.624,2.856,0.752,-0.067).
atm(m326,a4,c,c3,3.269,1.601,0.247,-0.108).
atm(m326,a5,c,c3,1.018,1.463,2.047,-0.108).
atm(m326,a6,n,n3,0.893,0.971,0.636,-0.067).
atm(m326,a7,c,c3,2.228,0.466,0.177,-0.108).
atm(m326,a8,c,c3,2.056,2.600,2.116,-0.109).
atm(m326,a9,h,h,0.354,1.720,-1.276,0.065).
atm(m326,a10,h,h,-0.532,2.444,0.078,0.065).
atm(m326,a11,h,h,1.948,3.466,-1.166,0.065).
atm(m326,a12,h,h,1.067,4.188,0.191,0.065).
atm(m326,a13,h,h,3.715,1.815,-0.743,0.065).
atm(m326,a14,h,h,4.111,1.348,0.919,0.065).
atm(m326,a15,h,h,1.302,0.606,2.687,0.065).
atm(m326,a16,h,h,0.019,1.793,2.391,0.066).
atm(m326,a17,h,h,2.115,0.071,-0.851,0.065).
atm(m326,a18,h,h,2.511,-0.395,0.811,0.065).
atm(m326,a19,h,h,2.892,2.356,2.799,0.065).
atm(m326,a20,h,h,1.613,3.542,2.491,0.065).
bond(m326,a1,a2,1).
bond(m326,a1,a6,1).
bond(m326,a1,a9,1).
bond(m326,a1,a10,1).
bond(m326,a2,a3,1).
bond(m326,a2,a11,1).
bond(m326,a2,a12,1).
bond(m326,a3,a4,1).
bond(m326,a3,a8,1).
bond(m326,a4,a7,1).
bond(m326,a4,a13,1).
bond(m326,a4,a14,1).
bond(m326,a5,a6,1).
bond(m326,a5,a8,1).
bond(m326,a5,a15,1).
bond(m326,a5,a16,1).
bond(m326,a6,a7,1).
bond(m326,a7,a17,1).
bond(m326,a7,a18,1).
bond(m326,a8,a19,1).
bond(m326,a8,a20,1).
atm(m327,a1,c,c3,3.211,0.893,0.813,-0.073).
atm(m327,a2,c,c3,2.000,0.640,1.715,-0.094).
atm(m327,a3,c,c3,0.713,0.818,0.907,-0.073).
atm(m327,a4,c,c3,0.701,-0.177,-0.256,-0.094).
atm(m327,a5,c,c3,1.910,0.075,-1.160,-0.073).
atm(m327,a6,c,c3,1.846,1.503,-1.708,-0.094).
atm(m327,a7,c,c3,1.860,2.499,-0.547,-0.073).
atm(m327,a8,c,c3,0.650,2.244,0.356,-0.094).
atm(m327,a9,c,c3,3.196,-0.102,-0.349,-0.094).
atm(m327,a10,c,c3,3.146,2.320,0.263,-0.094).
atm(m327,a11,h,h,4.148,0.764,1.403,0.061).
atm(m327,a12,h,h,2.012,1.336,2.576,0.051).
atm(m327,a13,h,h,2.047,-0.380,2.142,0.051).
atm(m327,a14,h,h,-0.168,0.633,1.564,0.061).
atm(m327,a15,h,h,-0.238,-0.079,-0.835,0.051).
atm(m327,a16,h,h,0.719,-1.216,0.128,0.051).
atm(m327,a17,h,h,1.900,-0.650,-2.007,0.061).
atm(m327,a18,h,h,0.933,1.638,-2.319,0.051).
atm(m327,a19,h,h,2.702,1.691,-2.385,0.051).
atm(m327,a20,h,h,1.813,3.539,-0.947,0.061).
atm(m327,a21,h,h,0.632,2.976,1.188,0.051).
atm(m327,a22,h,h,-0.289,2.396,-0.209,0.051).
atm(m327,a23,h,h,3.269,-1.138,0.032,0.051).
atm(m327,a24,h,h,4.081,0.052,-0.997,0.051).
atm(m327,a25,h,h,4.030,2.527,-0.371,0.051).
atm(m327,a26,h,h,3.182,3.053,1.092,0.051).
bond(m327,a1,a2,1).
bond(m327,a1,a9,1).
bond(m327,a1,a10,1).
bond(m327,a1,a11,1).
bond(m327,a2,a3,1).
bond(m327,a2,a12,1).
bond(m327,a2,a13,1).
bond(m327,a3,a4,1).
bond(m327,a3,a8,1).
bond(m327,a3,a14,1).
bond(m327,a4,a5,1).
bond(m327,a4,a15,1).
bond(m327,a4,a16,1).
bond(m327,a5,a6,1).
bond(m327,a5,a9,1).
bond(m327,a5,a17,1).
bond(m327,a6,a7,1).
bond(m327,a6,a18,1).
bond(m327,a6,a19,1).
bond(m327,a7,a8,1).
bond(m327,a7,a10,1).
bond(m327,a7,a20,1).
bond(m327,a8,a21,1).
bond(m327,a8,a22,1).
bond(m327,a9,a23,1).
bond(m327,a9,a24,1).
bond(m327,a10,a25,1).
bond(m327,a10,a26,1).
atm(m328,a1,c,c3,-0.939,4.904,3.342,-0.123).
atm(m328,a2,c,c3,-1.836,3.691,3.523,0.113).
atm(m328,a3,o,o3,-1.634,2.824,2.436,-0.570).
atm(m328,a4,p,p3,-2.716,1.537,2.112,1.592).
atm(m328,a5,o,o3,-3.997,2.483,1.477,-0.573).
atm(m328,a6,c,c3,-4.996,2.988,2.326,0.106).
atm(m328,a7,c,c3,-6.114,3.560,1.472,-0.120).
atm(m328,a8,s,s2,-3.085,0.225,3.473,-0.637).
atm(m328,a9,s,s3,-1.862,0.666,0.368,-0.289).
atm(m328,a10,c,c3,-1.413,1.862,-0.952,-0.119).
atm(m328,a11,c,c3,-1.001,1.060,-2.163,-0.167).
atm(m328,a12,s,s3,-0.416,2.214,-3.454,-0.047).
atm(m328,a13,c,c3,0.164,1.045,-4.734,-0.155).
atm(m328,a14,c,c3,0.867,1.807,-5.828,-0.100).
atm(m328,a15,h,h,0.121,4.627,3.271,0.053).
atm(m328,a16,h,h,-1.188,5.468,2.433,0.048).
atm(m328,a17,h,h,-1.049,5.584,4.197,0.045).
atm(m328,a18,h,h,-1.592,3.150,4.457,0.038).
atm(m328,a19,h,h,-2.907,3.992,3.570,0.024).
atm(m328,a20,h,h,-5.368,2.179,2.986,0.041).
atm(m328,a21,h,h,-4.538,3.771,2.972,0.026).
atm(m328,a22,h,h,-5.763,4.378,0.830,0.049).
atm(m328,a23,h,h,-6.561,2.800,0.818,0.052).
atm(m328,a24,h,h,-6.910,3.958,2.114,0.045).
atm(m328,a25,h,h,-2.266,2.525,-1.190,0.094).
atm(m328,a26,h,h,-0.588,2.515,-0.611,0.099).
atm(m328,a27,h,h,-0.201,0.338,-1.905,0.090).
atm(m328,a28,h,h,-1.846,0.455,-2.544,0.089).
atm(m328,a29,h,h,0.840,0.294,-4.283,0.070).
atm(m328,a30,h,h,-0.693,0.478,-5.141,0.071).
atm(m328,a31,h,h,0.207,2.547,-6.301,0.054).
atm(m328,a32,h,h,1.749,2.343,-5.453,0.055).
atm(m328,a33,h,h,1.210,1.123,-6.616,0.046).
bond(m328,a1,a2,1).
bond(m328,a1,a15,1).
bond(m328,a1,a16,1).
bond(m328,a1,a17,1).
bond(m328,a2,a3,1).
bond(m328,a2,a18,1).
bond(m328,a2,a19,1).
bond(m328,a3,a4,1).
bond(m328,a4,a5,1).
bond(m328,a4,a8,2).
bond(m328,a4,a9,1).
bond(m328,a5,a6,1).
bond(m328,a6,a7,1).
bond(m328,a6,a20,1).
bond(m328,a6,a21,1).
bond(m328,a7,a22,1).
bond(m328,a7,a23,1).
bond(m328,a7,a24,1).
bond(m328,a9,a10,1).
bond(m328,a10,a11,1).
bond(m328,a10,a25,1).
bond(m328,a10,a26,1).
bond(m328,a11,a12,1).
bond(m328,a11,a27,1).
bond(m328,a11,a28,1).
bond(m328,a12,a13,1).
bond(m328,a13,a14,1).
bond(m328,a13,a29,1).
bond(m328,a13,a30,1).
bond(m328,a14,a31,1).
bond(m328,a14,a32,1).
bond(m328,a14,a33,1).
atm(m329,a1,o,o2,-0.820,1.383,0.641,-0.363).
atm(m329,a2,c,c2,0.239,1.992,0.617,0.229).
atm(m329,a3,n,nam,0.257,3.412,0.524,-0.028).
atm(m329,a4,n,nam,1.484,1.303,0.684,-0.037).
atm(m329,a5,c,c2,2.726,1.972,0.439,0.259).
atm(m329,a6,c,c3,2.834,3.480,0.681,-0.045).
atm(m329,a7,c,c3,3.681,4.191,-0.416,-0.062).
atm(m329,a8,c,c3,5.159,3.794,-0.458,-0.128).
atm(m329,a9,c,c3,5.961,4.790,-1.285,-0.103).
atm(m329,a10,c,c3,7.389,4.331,-1.472,-0.108).
atm(m329,a11,c,c3,3.075,3.994,-1.800,-0.141).
atm(m329,a12,c,c3,3.385,3.730,2.112,-0.058).
atm(m329,a13,c,c2,4.437,2.783,2.569,-0.173).
atm(m329,a14,c,c2,4.393,2.171,3.747,-0.136).
atm(m329,a15,c,c2,1.452,4.170,0.672,0.243).
atm(m329,a16,o,o2,1.280,5.371,0.787,-0.334).
atm(m329,a17,o,o2,3.630,1.225,0.112,-0.322).
atm(m329,a18,h,h,-0.623,3.885,0.592,0.125).
atm(m329,a19,h,h,1.449,0.313,0.543,0.123).
atm(m329,a20,h,h,3.645,5.286,-0.171,0.089).
atm(m329,a21,h,h,5.578,3.738,0.570,0.067).
atm(m329,a22,h,h,5.277,2.777,-0.884,0.080).
atm(m329,a23,h,h,5.462,4.924,-2.272,0.055).
atm(m329,a24,h,h,5.943,5.788,-0.805,0.050).
atm(m329,a25,h,h,7.903,4.207,-0.509,0.038).
atm(m329,a26,h,h,7.440,3.366,-1.995,0.041).
atm(m329,a27,h,h,7.965,5.055,-2.062,0.039).
atm(m329,a28,h,h,2.994,2.932,-2.070,0.049).
atm(m329,a29,h,h,2.076,4.440,-1.884,0.047).
atm(m329,a30,h,h,3.720,4.474,-2.556,0.063).
atm(m329,a31,h,h,3.806,4.757,2.153,0.083).
atm(m329,a32,h,h,2.542,3.725,2.835,0.061).
atm(m329,a33,h,h,5.283,2.637,1.878,0.126).
atm(m329,a34,h,h,3.576,2.289,4.455,0.081).
atm(m329,a35,h,h,5.181,1.505,4.085,0.085).
bond(m329,a1,a2,2).
bond(m329,a2,a3,1).
bond(m329,a2,a4,1).
bond(m329,a3,a15,1).
bond(m329,a3,a18,1).
bond(m329,a4,a5,1).
bond(m329,a4,a19,1).
bond(m329,a5,a6,1).
bond(m329,a5,a17,2).
bond(m329,a6,a7,1).
bond(m329,a6,a12,1).
bond(m329,a6,a15,1).
bond(m329,a7,a8,1).
bond(m329,a7,a11,1).
bond(m329,a7,a20,1).
bond(m329,a8,a9,1).
bond(m329,a8,a21,1).
bond(m329,a8,a22,1).
bond(m329,a9,a10,1).
bond(m329,a9,a23,1).
bond(m329,a9,a24,1).
bond(m329,a10,a25,1).
bond(m329,a10,a26,1).
bond(m329,a10,a27,1).
bond(m329,a11,a28,1).
bond(m329,a11,a29,1).
bond(m329,a11,a30,1).
bond(m329,a12,a13,1).
bond(m329,a12,a31,1).
bond(m329,a12,a32,1).
bond(m329,a13,a14,2).
bond(m329,a13,a33,1).
bond(m329,a14,a34,1).
bond(m329,a14,a35,1).
bond(m329,a15,a16,2).
atm(m32,a1,n,npl3,0.000,1.215,0.000,0.071).
atm(m32,a2,c,car,1.410,1.251,-0.239,-0.080).
atm(m32,a3,c,car,2.149,2.395,0.093,-0.146).
atm(m32,a4,c,car,3.496,2.464,-0.236,-0.072).
atm(m32,a5,c,car,4.117,1.405,-0.890,-0.137).
atm(m32,a6,c,car,3.386,0.268,-1.216,-0.072).
atm(m32,a7,c,car,2.038,0.182,-0.894,-0.146).
atm(m32,a8,h,h,-0.254,1.780,0.780,0.030).
atm(m32,a9,h,h,-0.329,0.282,0.112,0.030).
atm(m32,a10,h,h,1.673,3.238,0.608,0.109).
atm(m32,a11,h,h,4.071,3.360,0.021,0.100).
atm(m32,a12,h,h,5.179,1.467,-1.146,0.104).
atm(m32,a13,h,h,3.874,-0.566,-1.730,0.100).
atm(m32,a14,h,h,1.474,-0.720,-1.159,0.109).
bond(m32,a1,a2,1).
bond(m32,a1,a8,1).
bond(m32,a1,a9,1).
bond(m32,a2,a3,ar).
bond(m32,a2,a7,ar).
bond(m32,a3,a4,ar).
bond(m32,a3,a10,1).
bond(m32,a4,a5,ar).
bond(m32,a4,a11,1).
bond(m32,a5,a6,ar).
bond(m32,a5,a12,1).
bond(m32,a6,a7,ar).
bond(m32,a6,a13,1).
bond(m32,a7,a14,1).
atm(m330,a1,br,br,4.892,4.842,0.000,0.083).
atm(m330,a2,c,c2,4.006,3.209,0.028,-0.334).
atm(m330,a3,c,c2,4.672,2.040,0.063,-0.008).
atm(m330,a4,c,c3,6.153,1.923,0.084,-0.087).
atm(m330,a5,n,nam,3.911,0.851,0.027,0.083).
atm(m330,a6,c,c2,2.483,0.886,0.156,0.228).
atm(m330,a7,o,o2,1.923,-0.192,0.315,-0.387).
atm(m330,a8,n,nam,1.789,2.133,0.051,-0.020).
atm(m330,a9,c,c3,0.281,2.116,0.078,-0.022).
atm(m330,a10,c,c3,-0.260,2.829,1.313,-0.137).
atm(m330,a11,c,c3,-0.330,2.702,-1.200,-0.122).
atm(m330,a12,c,c3,-0.123,1.820,-2.411,-0.111).
atm(m330,a13,c,c2,2.556,3.359,0.008,0.333).
atm(m330,a14,o,o2,2.006,4.445,-0.038,-0.330).
atm(m330,a15,h,h,6.616,2.832,0.496,0.077).
atm(m330,a16,h,h,6.500,1.073,0.689,0.058).
atm(m330,a17,h,h,6.542,1.790,-0.936,0.071).
atm(m330,a18,h,h,4.374,-0.006,0.237,0.104).
atm(m330,a19,h,h,-0.030,1.039,0.140,0.098).
atm(m330,a20,h,h,0.216,2.472,2.236,0.046).
atm(m330,a21,h,h,-0.124,3.918,1.267,0.068).
atm(m330,a22,h,h,-1.338,2.642,1.413,0.050).
atm(m330,a23,h,h,-1.418,2.832,-1.025,0.060).
atm(m330,a24,h,h,0.054,3.723,-1.400,0.080).
atm(m330,a25,h,h,-0.519,0.807,-2.252,0.043).
atm(m330,a26,h,h,-0.632,2.236,-3.290,0.041).
atm(m330,a27,h,h,0.939,1.717,-2.671,0.037).
bond(m330,a1,a2,1).
bond(m330,a2,a3,2).
bond(m330,a2,a13,1).
bond(m330,a3,a4,1).
bond(m330,a3,a5,1).
bond(m330,a4,a15,1).
bond(m330,a4,a16,1).
bond(m330,a4,a17,1).
bond(m330,a5,a6,1).
bond(m330,a5,a18,1).
bond(m330,a6,a7,2).
bond(m330,a6,a8,1).
bond(m330,a8,a9,1).
bond(m330,a8,a13,1).
bond(m330,a9,a10,1).
bond(m330,a9,a11,1).
bond(m330,a9,a19,1).
bond(m330,a10,a20,1).
bond(m330,a10,a21,1).
bond(m330,a10,a22,1).
bond(m330,a11,a12,1).
bond(m330,a11,a23,1).
bond(m330,a11,a24,1).
bond(m330,a12,a25,1).
bond(m330,a12,a26,1).
bond(m330,a12,a27,1).
bond(m330,a13,a14,2).
atm(m331,a1,o,o3,4.904,3.643,0.000,-0.232).
atm(m331,a2,c,car,4.176,2.509,-0.001,0.224).
atm(m331,a3,c,car,4.714,1.205,-0.002,-0.494).
atm(m331,a4,n,n4,6.183,0.980,-0.002,1.325).
atm(m331,a5,o,oco2,6.646,-0.135,-0.003,-0.558).
atm(m331,a6,o,oco2,6.904,1.974,-0.001,-0.632).
atm(m331,a7,c,car,3.835,0.106,-0.002,0.015).
atm(m331,a8,c,car,2.468,0.295,-0.002,-0.099).
atm(m331,a9,c,car,1.936,1.596,-0.001,-0.301).
atm(m331,a10,n,n4,0.436,1.789,-0.001,1.291).
atm(m331,a11,o,oco2,-0.013,2.915,0.000,-0.581).
atm(m331,a12,o,oco2,-0.283,0.812,-0.002,-0.581).
atm(m331,a13,c,car,2.774,2.699,-0.001,-0.088).
atm(m331,a14,h,h,5.844,3.433,0.000,0.263).
atm(m331,a15,h,h,4.236,-0.919,-0.003,0.138).
atm(m331,a16,h,h,1.803,-0.581,-0.003,0.148).
atm(m331,a17,h,h,2.374,3.727,0.000,0.162).
bond(m331,a1,a2,1).
bond(m331,a1,a14,1).
bond(m331,a2,a3,ar).
bond(m331,a2,a13,ar).
bond(m331,a3,a4,1).
bond(m331,a3,a7,ar).
bond(m331,a4,a5,2).
bond(m331,a4,a6,1).
bond(m331,a7,a8,ar).
bond(m331,a7,a15,1).
bond(m331,a8,a9,ar).
bond(m331,a8,a16,1).
bond(m331,a9,a10,1).
bond(m331,a9,a13,ar).
bond(m331,a10,a11,2).
bond(m331,a10,a12,1).
bond(m331,a13,a17,1).
atm(m332,a1,c,car,2.420,0.000,0.000,-0.104).
atm(m332,a2,c,car,1.232,0.722,0.029,-0.124).
atm(m332,a3,cl,cl,-0.238,-0.091,0.006,0.098).
atm(m332,a4,c,car,1.253,2.117,0.076,-0.148).
atm(m332,a5,cl,cl,-0.190,2.975,0.107,0.099).
atm(m332,a6,c,car,2.468,2.796,0.101,-0.074).
atm(m332,a7,c,car,3.662,2.085,0.079,-0.111).
atm(m332,a8,c,car,3.641,0.686,0.020,-0.065).
atm(m332,a9,n,nam,4.840,-0.122,-0.018,0.027).
atm(m332,a10,c,c2,6.099,0.430,-0.462,0.225).
atm(m332,a11,o,o2,7.094,0.191,0.211,-0.382).
atm(m332,a12,n,nam,6.167,1.213,-1.675,-0.042).
atm(m332,a13,c,c3,5.332,0.756,-2.810,-0.088).
atm(m332,a14,c,c3,7.528,1.628,-2.093,-0.080).
atm(m332,a15,h,h,2.385,-1.096,-0.034,0.129).
atm(m332,a16,h,h,2.477,3.891,0.143,0.120).
atm(m332,a17,h,h,4.612,2.633,0.104,0.126).
atm(m332,a18,h,h,4.926,-0.661,0.819,0.088).
atm(m332,a19,h,h,5.343,1.529,-3.591,0.053).
atm(m332,a20,h,h,5.691,-0.185,-3.253,0.037).
atm(m332,a21,h,h,4.290,0.617,-2.490,0.064).
atm(m332,a22,h,h,8.056,2.090,-1.248,0.065).
atm(m332,a23,h,h,8.137,0.792,-2.466,0.040).
atm(m332,a24,h,h,7.436,2.377,-2.891,0.048).
bond(m332,a1,a2,ar).
bond(m332,a1,a8,ar).
bond(m332,a1,a15,1).
bond(m332,a2,a3,1).
bond(m332,a2,a4,ar).
bond(m332,a4,a5,1).
bond(m332,a4,a6,ar).
bond(m332,a6,a7,ar).
bond(m332,a6,a16,1).
bond(m332,a7,a8,ar).
bond(m332,a7,a17,1).
bond(m332,a8,a9,1).
bond(m332,a9,a10,1).
bond(m332,a9,a18,1).
bond(m332,a10,a11,2).
bond(m332,a10,a12,1).
bond(m332,a12,a13,1).
bond(m332,a12,a14,1).
bond(m332,a13,a19,1).
bond(m332,a13,a20,1).
bond(m332,a13,a21,1).
bond(m332,a14,a22,1).
bond(m332,a14,a23,1).
bond(m332,a14,a24,1).
atm(m333,a1,c,car,7.279,2.805,0.000,-0.098).
atm(m333,a2,c,car,8.464,2.156,0.319,-0.109).
atm(m333,a3,c,car,8.415,0.955,1.039,0.046).
atm(m333,a4,f,f,9.562,0.329,1.353,-0.091).
atm(m333,a5,c,car,7.196,0.393,1.439,-0.106).
atm(m333,a6,c,car,6.012,1.041,1.113,-0.124).
atm(m333,a7,c,car,6.059,2.243,0.398,0.051).
atm(m333,a8,o,o3,4.926,2.901,-0.062,-0.127).
atm(m333,a9,c,car,3.837,2.951,0.797,0.052).
atm(m333,a10,c,car,3.952,3.174,2.174,-0.125).
atm(m333,a11,c,car,2.804,3.318,2.941,-0.106).
atm(m333,a12,c,car,1.552,3.244,2.319,0.045).
atm(m333,a13,f,f,0.440,3.384,3.059,-0.091).
atm(m333,a14,c,car,1.434,3.025,0.939,-0.109).
atm(m333,a15,c,car,2.583,2.875,0.176,-0.099).
atm(m333,a16,h,h,7.300,3.743,-0.567,0.124).
atm(m333,a17,h,h,9.427,2.579,0.013,0.124).
atm(m333,a18,h,h,7.176,-0.548,1.999,0.124).
atm(m333,a19,h,h,5.049,0.613,1.417,0.124).
atm(m333,a20,h,h,4.940,3.231,2.645,0.124).
atm(m333,a21,h,h,2.878,3.493,4.020,0.124).
atm(m333,a22,h,h,0.446,2.972,0.470,0.124).
atm(m333,a23,h,h,2.508,2.707,-0.905,0.124).
bond(m333,a1,a2,ar).
bond(m333,a1,a7,ar).
bond(m333,a1,a16,1).
bond(m333,a2,a3,ar).
bond(m333,a2,a17,1).
bond(m333,a3,a4,1).
bond(m333,a3,a5,ar).
bond(m333,a5,a6,ar).
bond(m333,a5,a18,1).
bond(m333,a6,a7,ar).
bond(m333,a6,a19,1).
bond(m333,a7,a8,1).
bond(m333,a8,a9,1).
bond(m333,a9,a10,ar).
bond(m333,a9,a15,ar).
bond(m333,a10,a11,ar).
bond(m333,a10,a20,1).
bond(m333,a11,a12,ar).
bond(m333,a11,a21,1).
bond(m333,a12,a13,1).
bond(m333,a12,a14,ar).
bond(m333,a14,a15,ar).
bond(m333,a14,a22,1).
bond(m333,a15,a23,1).
atm(m334,a1,c,car,2.426,0.515,0.000,-0.250).
atm(m334,a2,c,car,1.149,1.071,-0.036,0.039).
atm(m334,a3,c,c3,-0.027,0.285,-0.499,-0.075).
atm(m334,a4,n,nar,0.928,2.365,0.356,-0.158).
atm(m334,a5,c,car,1.966,3.116,0.805,0.043).
atm(m334,a6,c,c3,1.708,4.538,1.256,-0.020).
atm(m334,a7,c,c3,2.910,5.439,1.010,-0.125).
atm(m334,a8,c,c3,1.342,4.541,2.734,-0.113).
atm(m334,a9,n,nar,3.238,2.623,0.868,-0.241).
atm(m334,a10,c,car,3.466,1.347,0.463,0.253).
atm(m334,a11,o,o3,4.728,0.906,0.500,-0.545).
atm(m334,a12,p,p3,6.221,1.619,1.026,1.882).
atm(m334,a13,o,o3,5.904,2.155,2.581,-0.569).
atm(m334,a14,c,c3,5.588,3.475,2.964,0.122).
atm(m334,a15,c,c3,4.906,3.419,4.323,-0.129).
atm(m334,a16,s,s2,7.627,0.323,0.832,-0.639).
atm(m334,a17,o,o3,6.324,3.095,0.205,-0.605).
atm(m334,a18,c,c3,6.117,3.228,-1.178,0.146).
atm(m334,a19,c,c3,5.593,4.627,-1.461,-0.146).
atm(m334,a20,h,h,2.619,-0.516,-0.316,0.145).
atm(m334,a21,h,h,0.281,-0.640,-1.004,0.048).
atm(m334,a22,h,h,-0.662,0.003,0.353,0.062).
atm(m334,a23,h,h,-0.653,0.857,-1.198,0.064).
atm(m334,a24,h,h,0.841,4.936,0.671,0.082).
atm(m334,a25,h,h,3.258,5.390,-0.036,0.049).
atm(m334,a26,h,h,2.665,6.484,1.234,0.042).
atm(m334,a27,h,h,3.771,5.156,1.644,0.058).
atm(m334,a28,h,h,1.109,5.560,3.073,0.042).
atm(m334,a29,h,h,0.461,3.918,2.936,0.049).
atm(m334,a30,h,h,2.166,4.168,3.360,0.046).
atm(m334,a31,h,h,6.539,4.038,3.019,0.027).
atm(m334,a32,h,h,4.930,3.984,2.221,0.062).
atm(m334,a33,h,h,4.685,4.436,4.671,0.042).
atm(m334,a34,h,h,3.955,2.870,4.283,0.048).
atm(m334,a35,h,h,5.532,2.934,5.083,0.050).
atm(m334,a36,h,h,7.090,3.057,-1.676,0.034).
atm(m334,a37,h,h,5.408,2.460,-1.542,0.020).
atm(m334,a38,h,h,5.405,4.750,-2.535,0.046).
atm(m334,a39,h,h,4.649,4.839,-0.928,0.062).
atm(m334,a40,h,h,6.312,5.401,-1.159,0.051).
bond(m334,a1,a2,ar).
bond(m334,a1,a10,ar).
bond(m334,a1,a20,1).
bond(m334,a2,a3,1).
bond(m334,a2,a4,ar).
bond(m334,a3,a21,1).
bond(m334,a3,a22,1).
bond(m334,a3,a23,1).
bond(m334,a4,a5,ar).
bond(m334,a5,a6,1).
bond(m334,a5,a9,ar).
bond(m334,a6,a7,1).
bond(m334,a6,a8,1).
bond(m334,a6,a24,1).
bond(m334,a7,a25,1).
bond(m334,a7,a26,1).
bond(m334,a7,a27,1).
bond(m334,a8,a28,1).
bond(m334,a8,a29,1).
bond(m334,a8,a30,1).
bond(m334,a9,a10,ar).
bond(m334,a10,a11,1).
bond(m334,a11,a12,1).
bond(m334,a12,a13,1).
bond(m334,a12,a16,2).
bond(m334,a12,a17,1).
bond(m334,a13,a14,1).
bond(m334,a14,a15,1).
bond(m334,a14,a31,1).
bond(m334,a14,a32,1).
bond(m334,a15,a33,1).
bond(m334,a15,a34,1).
bond(m334,a15,a35,1).
bond(m334,a17,a18,1).
bond(m334,a18,a19,1).
bond(m334,a18,a36,1).
bond(m334,a18,a37,1).
bond(m334,a19,a38,1).
bond(m334,a19,a39,1).
bond(m334,a19,a40,1).
atm(m335,a1,f,f,6.288,1.207,0.000,-0.080).
atm(m335,a2,c,car,4.948,1.207,0.000,0.128).
atm(m335,a3,c,car,4.260,-0.014,0.000,-0.158).
atm(m335,a4,c,car,2.872,-0.007,0.001,0.019).
atm(m335,a5,c,car,2.172,1.206,0.001,-0.427).
atm(m335,a6,n,n4,0.674,1.206,0.002,1.310).
atm(m335,a7,o,oco2,0.078,0.147,0.001,-0.597).
atm(m335,a8,o,oco2,0.078,2.265,0.002,-0.597).
atm(m335,a9,c,car,2.872,2.420,0.001,0.019).
atm(m335,a10,c,car,4.259,2.427,0.001,-0.158).
atm(m335,a11,h,h,4.810,-0.962,0.000,0.134).
atm(m335,a12,h,h,2.333,-0.966,0.000,0.136).
atm(m335,a13,h,h,2.332,3.378,0.002,0.136).
atm(m335,a14,h,h,4.809,3.376,0.001,0.134).
bond(m335,a1,a2,1).
bond(m335,a2,a3,ar).
bond(m335,a2,a10,ar).
bond(m335,a3,a4,ar).
bond(m335,a3,a11,1).
bond(m335,a4,a5,ar).
bond(m335,a4,a12,1).
bond(m335,a5,a6,1).
bond(m335,a5,a9,ar).
bond(m335,a6,a7,2).
bond(m335,a6,a8,1).
bond(m335,a9,a10,ar).
bond(m335,a9,a13,1).
bond(m335,a10,a14,1).
atm(m336,a1,c,c3,6.054,1.214,0.000,0.403).
atm(m336,a2,f,f,5.696,-0.086,0.091,-0.133).
atm(m336,a3,f,f,6.937,1.249,-1.026,-0.137).
atm(m336,a4,f,f,6.810,1.433,1.102,-0.137).
atm(m336,a5,c,car,4.902,2.206,-0.155,-0.184).
atm(m336,a6,c,car,3.579,1.776,-0.195,-0.015).
atm(m336,a7,c,car,2.566,2.728,-0.338,0.029).
atm(m336,a8,c,c1,1.206,2.305,-0.382,-0.109).
atm(m336,a9,n,n1,0.099,1.962,-0.417,-0.039).
atm(m336,a10,c,car,2.870,4.089,-0.439,-0.039).
atm(m336,a11,c,car,4.199,4.498,-0.396,-0.105).
atm(m336,a12,c,car,5.216,3.562,-0.255,-0.027).
atm(m336,a13,h,h,3.329,0.710,-0.117,0.133).
atm(m336,a14,h,h,2.069,4.829,-0.551,0.120).
atm(m336,a15,h,h,4.445,5.563,-0.475,0.118).
atm(m336,a16,h,h,6.265,3.881,-0.221,0.122).
bond(m336,a1,a2,1).
bond(m336,a1,a3,1).
bond(m336,a1,a4,1).
bond(m336,a1,a5,1).
bond(m336,a5,a6,ar).
bond(m336,a5,a12,ar).
bond(m336,a6,a7,ar).
bond(m336,a6,a13,1).
bond(m336,a7,a8,1).
bond(m336,a7,a10,ar).
bond(m336,a8,a9,3).
bond(m336,a10,a11,ar).
bond(m336,a10,a14,1).
bond(m336,a11,a12,ar).
bond(m336,a11,a15,1).
bond(m336,a12,a16,1).
atm(m337,a1,n,npl3,0.000,1.210,0.000,0.076).
atm(m337,a2,c,car,1.417,1.308,-0.156,-0.090).
atm(m337,a3,c,car,2.126,2.318,0.509,-0.122).
atm(m337,a4,c,car,3.484,2.486,0.279,-0.101).
atm(m337,a5,c,car,4.135,1.634,-0.621,0.029).
atm(m337,a6,f,f,5.452,1.792,-0.845,-0.094).
atm(m337,a7,c,car,3.440,0.619,-1.289,-0.101).
atm(m337,a8,c,car,2.083,0.459,-1.053,-0.122).
atm(m337,a9,h,h,-0.296,1.541,0.891,0.032).
atm(m337,a10,h,h,-0.325,0.283,-0.166,0.032).
atm(m337,a11,h,h,1.617,2.987,1.214,0.112).
atm(m337,a12,h,h,4.041,3.276,0.795,0.119).
atm(m337,a13,h,h,3.963,-0.040,-1.991,0.119).
atm(m337,a14,h,h,1.539,-0.336,-1.578,0.112).
bond(m337,a1,a2,1).
bond(m337,a1,a9,1).
bond(m337,a1,a10,1).
bond(m337,a2,a3,ar).
bond(m337,a2,a8,ar).
bond(m337,a3,a4,ar).
bond(m337,a3,a11,1).
bond(m337,a4,a5,ar).
bond(m337,a4,a12,1).
bond(m337,a5,a6,1).
bond(m337,a5,a7,ar).
bond(m337,a7,a8,ar).
bond(m337,a7,a13,1).
bond(m337,a8,a14,1).
atm(m338,a1,c,car,2.795,2.423,0.000,-0.226).
atm(m338,a2,c,c2,4.282,2.461,0.000,0.329).
atm(m338,a3,o,o2,4.983,1.476,0.001,-0.302).
atm(m338,a4,c,car,2.053,1.236,0.001,-0.056).
atm(m338,a5,cl,cl,2.790,-0.270,0.002,0.129).
atm(m338,a6,c,car,0.656,1.259,0.001,-0.144).
atm(m338,a7,c,car,-0.026,2.467,0.000,-0.032).
atm(m338,a8,c,car,0.676,3.667,-0.001,-0.156).
atm(m338,a9,c,car,2.075,3.636,-0.001,0.120).
atm(m338,a10,f,f,2.732,4.808,-0.002,-0.088).
atm(m338,a11,h,h,4.751,3.458,0.000,0.064).
atm(m338,a12,h,h,0.104,0.312,0.002,0.124).
atm(m338,a13,h,h,-1.122,2.478,-0.001,0.110).
atm(m338,a14,h,h,0.143,4.624,-0.002,0.128).
bond(m338,a1,a2,1).
bond(m338,a1,a4,ar).
bond(m338,a1,a9,ar).
bond(m338,a2,a3,2).
bond(m338,a2,a11,1).
bond(m338,a4,a5,1).
bond(m338,a4,a6,ar).
bond(m338,a6,a7,ar).
bond(m338,a6,a12,1).
bond(m338,a7,a8,ar).
bond(m338,a7,a13,1).
bond(m338,a8,a9,ar).
bond(m338,a8,a14,1).
bond(m338,a9,a10,1).
atm(m339,a1,n,npl3,4.854,4.017,0.000,0.090).
atm(m339,a2,c,car,3.579,3.391,-0.013,-0.021).
atm(m339,a3,c,car,3.389,2.064,0.412,-0.210).
atm(m339,a4,c,c3,4.576,1.175,0.784,0.410).
atm(m339,a5,f,f,5.411,0.923,-0.255,-0.146).
atm(m339,a6,f,f,4.261,-0.055,1.251,-0.134).
atm(m339,a7,f,f,5.381,1.689,1.742,-0.137).
atm(m339,a8,c,car,2.102,1.530,0.492,-0.049).
atm(m339,a9,c,car,1.007,2.325,0.148,0.021).
atm(m339,a10,f,f,-0.233,1.812,0.226,-0.087).
atm(m339,a11,c,car,1.179,3.650,-0.282,-0.062).
atm(m339,a12,c,car,2.457,4.170,-0.362,-0.142).
atm(m339,a13,h,h,5.611,3.394,-0.165,0.047).
atm(m339,a14,h,h,4.892,4.811,-0.598,0.042).
atm(m339,a15,h,h,1.936,0.496,0.822,0.136).
atm(m339,a16,h,h,0.309,4.261,-0.550,0.123).
atm(m339,a17,h,h,2.588,5.206,-0.699,0.119).
bond(m339,a1,a2,1).
bond(m339,a1,a13,1).
bond(m339,a1,a14,1).
bond(m339,a2,a3,ar).
bond(m339,a2,a12,ar).
bond(m339,a3,a4,1).
bond(m339,a3,a8,ar).
bond(m339,a4,a5,1).
bond(m339,a4,a6,1).
bond(m339,a4,a7,1).
bond(m339,a8,a9,ar).
bond(m339,a8,a15,1).
bond(m339,a9,a10,1).
bond(m339,a9,a11,ar).
bond(m339,a11,a12,ar).
bond(m339,a11,a16,1).
bond(m339,a12,a17,1).
atm(m33,a1,c,c3,8.485,2.096,0.000,-0.091).
atm(m33,a2,n,nam,7.228,2.865,-0.014,-0.001).
atm(m33,a3,c,c2,6.017,2.144,-0.205,0.350).
atm(m33,a4,o,o2,5.896,1.054,-0.741,-0.395).
atm(m33,a5,o,o3,4.980,2.915,0.251,-0.202).
atm(m33,a6,c,car,3.655,2.556,0.030,0.098).
atm(m33,a7,c,car,3.258,1.393,-0.588,-0.180).
atm(m33,a8,c,car,1.883,1.123,-0.752,-0.065).
atm(m33,a9,c,car,0.941,2.006,-0.301,-0.115).
atm(m33,a10,c,car,1.333,3.214,0.339,-0.021).
atm(m33,a11,c,car,0.354,4.132,0.806,-0.094).
atm(m33,a12,c,car,0.731,5.295,1.420,-0.095).
atm(m33,a13,c,car,2.100,5.595,1.594,-0.108).
atm(m33,a14,c,car,3.064,4.728,1.155,-0.074).
atm(m33,a15,c,car,2.702,3.512,0.515,-0.047).
atm(m33,a16,h,h,9.322,2.803,-0.055,0.051).
atm(m33,a17,h,h,8.607,1.480,0.903,0.035).
atm(m33,a18,h,h,8.533,1.434,-0.875,0.071).
atm(m33,a19,h,h,7.191,3.557,0.704,0.078).
atm(m33,a20,h,h,4.033,0.687,-0.949,0.172).
atm(m33,a21,h,h,1.587,0.192,-1.247,0.105).
atm(m33,a22,h,h,-0.128,1.799,-0.426,0.108).
atm(m33,a23,h,h,-0.706,3.891,0.664,0.106).
atm(m33,a24,h,h,-0.022,6.005,1.780,0.103).
atm(m33,a25,h,h,2.381,6.532,2.086,0.103).
atm(m33,a26,h,h,4.122,4.975,1.295,0.110).
bond(m33,a1,a2,1).
bond(m33,a1,a16,1).
bond(m33,a1,a17,1).
bond(m33,a1,a18,1).
bond(m33,a2,a3,1).
bond(m33,a2,a19,1).
bond(m33,a3,a4,2).
bond(m33,a3,a5,1).
bond(m33,a5,a6,1).
bond(m33,a6,a7,ar).
bond(m33,a6,a15,ar).
bond(m33,a7,a8,ar).
bond(m33,a7,a20,1).
bond(m33,a8,a9,ar).
bond(m33,a8,a21,1).
bond(m33,a9,a10,ar).
bond(m33,a9,a22,1).
bond(m33,a10,a11,ar).
bond(m33,a10,a15,ar).
bond(m33,a11,a12,ar).
bond(m33,a11,a23,1).
bond(m33,a12,a13,ar).
bond(m33,a12,a24,1).
bond(m33,a13,a14,ar).
bond(m33,a13,a25,1).
bond(m33,a14,a15,ar).
bond(m33,a14,a26,1).
atm(m340,a1,c,car,2.102,1.210,0.000,-0.229).
atm(m340,a2,c,c2,0.616,1.211,0.000,0.331).
atm(m340,a3,o,o2,-0.044,0.196,0.000,-0.313).
atm(m340,a4,c,car,2.822,2.418,0.000,0.111).
atm(m340,a5,f,f,2.172,3.593,0.000,-0.089).
atm(m340,a6,c,car,4.223,2.429,0.000,-0.151).
atm(m340,a7,c,car,4.908,1.220,0.000,-0.045).
atm(m340,a8,c,car,4.209,0.017,0.000,-0.132).
atm(m340,a9,c,car,2.820,0.012,0.000,-0.014).
atm(m340,a10,h,h,0.113,2.191,0.000,0.061).
atm(m340,a11,h,h,4.769,3.379,0.000,0.126).
atm(m340,a12,h,h,6.003,1.218,0.000,0.107).
atm(m340,a13,h,h,4.757,-0.932,0.000,0.113).
atm(m340,a14,h,h,2.274,-0.941,0.000,0.124).
bond(m340,a1,a2,1).
bond(m340,a1,a4,ar).
bond(m340,a1,a9,ar).
bond(m340,a2,a3,2).
bond(m340,a2,a10,1).
bond(m340,a4,a5,1).
bond(m340,a4,a6,ar).
bond(m340,a6,a7,ar).
bond(m340,a6,a11,1).
bond(m340,a7,a8,ar).
bond(m340,a7,a12,1).
bond(m340,a8,a9,ar).
bond(m340,a8,a13,1).
bond(m340,a9,a14,1).
atm(m341,a1,c,car,2.100,0.185,0.000,-0.048).
atm(m341,a2,c,car,0.744,0.116,-0.303,-0.090).
atm(m341,a3,c,car,0.043,1.266,-0.648,-0.068).
atm(m341,a4,c,car,0.696,2.493,-0.691,-0.083).
atm(m341,a5,c,car,2.059,2.568,-0.387,0.100).
atm(m341,a6,c,car,2.766,1.408,-0.040,-0.154).
atm(m341,a7,c,c3,4.260,1.474,0.297,0.405).
atm(m341,a8,f,f,4.830,0.289,0.613,-0.135).
atm(m341,a9,f,f,4.546,2.269,1.353,-0.133).
atm(m341,a10,f,f,5.025,1.948,-0.713,-0.133).
atm(m341,a11,c,c1,2.685,3.849,-0.445,-0.127).
atm(m341,a12,n,n1,3.156,4.906,-0.502,-0.014).
atm(m341,a13,h,h,2.635,-0.734,0.270,0.126).
atm(m341,a14,h,h,0.229,-0.851,-0.270,0.115).
atm(m341,a15,h,h,-1.025,1.209,-0.887,0.114).
atm(m341,a16,h,h,0.143,3.400,-0.964,0.123).
bond(m341,a1,a2,ar).
bond(m341,a1,a6,ar).
bond(m341,a1,a13,1).
bond(m341,a2,a3,ar).
bond(m341,a2,a14,1).
bond(m341,a3,a4,ar).
bond(m341,a3,a15,1).
bond(m341,a4,a5,ar).
bond(m341,a4,a16,1).
bond(m341,a5,a6,ar).
bond(m341,a5,a11,1).
bond(m341,a6,a7,1).
bond(m341,a7,a8,1).
bond(m341,a7,a9,1).
bond(m341,a7,a10,1).
bond(m341,a11,a12,3).
atm(m342,a1,c,car,2.100,2.611,0.000,-0.207).
atm(m342,a2,c,c2,1.351,3.895,0.023,0.327).
atm(m342,a3,o,o2,0.144,3.963,0.016,-0.306).
atm(m342,a4,c,car,3.496,2.649,0.014,0.000).
atm(m342,a5,c,car,4.218,1.460,-0.010,-0.198).
atm(m342,a6,c,c3,5.745,1.494,0.024,0.404).
atm(m342,a7,f,f,6.299,2.610,-0.505,-0.138).
atm(m342,a8,f,f,6.258,1.426,1.275,-0.138).
atm(m342,a9,f,f,6.345,0.481,-0.641,-0.137).
atm(m342,a10,c,car,3.559,0.231,-0.039,-0.016).
atm(m342,a11,c,car,2.169,0.198,-0.052,-0.122).
atm(m342,a12,c,car,1.439,1.382,-0.034,-0.003).
atm(m342,a13,h,h,1.959,4.815,0.047,0.052).
atm(m342,a14,h,h,4.017,3.616,0.042,0.120).
atm(m342,a15,h,h,4.131,-0.705,-0.052,0.120).
atm(m342,a16,h,h,1.648,-0.765,-0.077,0.117).
atm(m342,a17,h,h,0.342,1.354,-0.045,0.124).
bond(m342,a1,a2,1).
bond(m342,a1,a4,ar).
bond(m342,a1,a12,ar).
bond(m342,a2,a3,2).
bond(m342,a2,a13,1).
bond(m342,a4,a5,ar).
bond(m342,a4,a14,1).
bond(m342,a5,a6,1).
bond(m342,a5,a10,ar).
bond(m342,a6,a7,1).
bond(m342,a6,a8,1).
bond(m342,a6,a9,1).
bond(m342,a10,a11,ar).
bond(m342,a10,a15,1).
bond(m342,a11,a12,ar).
bond(m342,a11,a16,1).
bond(m342,a12,a17,1).
atm(m343,a1,c,c3,0.000,2.421,0.000,-0.113).
atm(m343,a2,n,npl3,0.762,1.161,0.023,0.042).
atm(m343,a3,c,car,1.989,1.155,0.773,-0.073).
atm(m343,a4,c,car,2.773,2.313,0.868,-0.124).
atm(m343,a5,c,car,4.007,2.276,1.499,-0.100).
atm(m343,a6,c,car,4.461,1.066,2.038,0.030).
atm(m343,a7,f,f,5.657,1.023,2.651,-0.095).
atm(m343,a8,c,car,3.690,-0.099,1.952,-0.102).
atm(m343,a9,c,car,2.455,-0.050,1.321,-0.124).
atm(m343,a10,h,h,0.683,3.269,-0.170,0.057).
atm(m343,a11,h,h,-0.713,2.377,-0.833,0.052).
atm(m343,a12,h,h,-0.560,2.621,0.926,0.029).
atm(m343,a13,h,h,0.181,0.391,0.278,0.052).
atm(m343,a14,h,h,2.400,3.256,0.438,0.118).
atm(m343,a15,h,h,4.621,3.181,1.572,0.119).
atm(m343,a16,h,h,4.058,-1.038,2.378,0.119).
atm(m343,a17,h,h,1.854,-0.965,1.256,0.111).
bond(m343,a1,a2,1).
bond(m343,a1,a10,1).
bond(m343,a1,a11,1).
bond(m343,a1,a12,1).
bond(m343,a2,a3,1).
bond(m343,a2,a13,1).
bond(m343,a3,a4,ar).
bond(m343,a3,a9,ar).
bond(m343,a4,a5,ar).
bond(m343,a4,a14,1).
bond(m343,a5,a6,ar).
bond(m343,a5,a15,1).
bond(m343,a6,a7,1).
bond(m343,a6,a8,ar).
bond(m343,a8,a9,ar).
bond(m343,a8,a16,1).
bond(m343,a9,a17,1).
atm(m344,a1,c,c3,12.613,4.856,0.000,-0.105).
atm(m344,a2,c,c3,11.906,3.645,0.000,-0.105).
atm(m344,a3,c,c3,10.506,3.645,0.000,-0.105).
atm(m344,a4,c,c3,9.813,2.422,0.000,-0.091).
atm(m344,a5,c,c3,8.413,2.422,0.000,-0.116).
atm(m344,a6,c,c3,7.706,1.211,0.000,-0.119).
atm(m344,a7,c,c2,6.306,1.211,0.000,0.248).
atm(m344,a8,o,o2,5.600,2.422,0.000,-0.384).
atm(m344,a9,c,c3,5.600,0.000,0.000,-0.121).
atm(m344,a10,c,c3,4.200,0.000,0.000,-0.079).
atm(m344,a11,c,c3,3.506,1.211,0.000,-0.147).
atm(m344,a12,c,c3,2.106,1.211,0.000,-0.088).
atm(m344,a13,c,c3,1.400,2.422,0.000,-0.112).
atm(m344,a14,c,c3,0.000,2.422,0.000,-0.105).
atm(m344,a15,h,h,13.683,4.652,0.000,0.045).
atm(m344,a16,h,h,12.352,5.429,-0.890,0.040).
atm(m344,a17,h,h,12.352,5.429,0.890,0.040).
atm(m344,a18,h,h,12.220,3.099,-0.890,0.046).
atm(m344,a19,h,h,12.220,3.099,0.890,0.046).
atm(m344,a20,h,h,10.190,4.189,0.890,0.053).
atm(m344,a21,h,h,10.190,4.189,-0.890,0.053).
atm(m344,a22,h,h,10.130,1.878,-0.890,0.044).
atm(m344,a23,h,h,10.130,1.878,0.890,0.044).
atm(m344,a24,h,h,8.099,2.967,0.890,0.070).
atm(m344,a25,h,h,8.099,2.967,-0.890,0.070).
atm(m344,a26,h,h,8.020,0.665,-0.890,0.078).
atm(m344,a27,h,h,8.020,0.665,0.890,0.078).
atm(m344,a28,h,h,5.913,-0.546,-0.890,0.080).
atm(m344,a29,h,h,5.913,-0.546,0.890,0.080).
atm(m344,a30,h,h,3.885,-0.544,-0.890,0.046).
atm(m344,a31,h,h,3.885,-0.544,0.890,0.046).
atm(m344,a32,h,h,3.822,1.755,0.890,0.084).
atm(m344,a33,h,h,3.822,1.755,-0.890,0.084).
atm(m344,a34,h,h,1.793,0.665,-0.890,0.040).
atm(m344,a35,h,h,1.793,0.665,0.890,0.039).
atm(m344,a36,h,h,1.713,2.967,0.890,0.052).
atm(m344,a37,h,h,1.713,2.967,-0.890,0.051).
atm(m344,a38,h,h,-0.363,2.422,1.028,0.036).
atm(m344,a39,h,h,-0.363,1.532,-0.514,0.039).
atm(m344,a40,h,h,-0.363,3.312,-0.514,0.043).
bond(m344,a1,a2,1).
bond(m344,a1,a15,1).
bond(m344,a1,a16,1).
bond(m344,a1,a17,1).
bond(m344,a2,a3,1).
bond(m344,a2,a18,1).
bond(m344,a2,a19,1).
bond(m344,a3,a4,1).
bond(m344,a3,a20,1).
bond(m344,a3,a21,1).
bond(m344,a4,a5,1).
bond(m344,a4,a22,1).
bond(m344,a4,a23,1).
bond(m344,a5,a6,1).
bond(m344,a5,a24,1).
bond(m344,a5,a25,1).
bond(m344,a6,a7,1).
bond(m344,a6,a26,1).
bond(m344,a6,a27,1).
bond(m344,a7,a8,2).
bond(m344,a7,a9,1).
bond(m344,a9,a10,1).
bond(m344,a9,a28,1).
bond(m344,a9,a29,1).
bond(m344,a10,a11,1).
bond(m344,a10,a30,1).
bond(m344,a10,a31,1).
bond(m344,a11,a12,1).
bond(m344,a11,a32,1).
bond(m344,a11,a33,1).
bond(m344,a12,a13,1).
bond(m344,a12,a34,1).
bond(m344,a12,a35,1).
bond(m344,a13,a14,1).
bond(m344,a13,a36,1).
bond(m344,a13,a37,1).
bond(m344,a14,a38,1).
bond(m344,a14,a39,1).
bond(m344,a14,a40,1).
atm(m345,a1,o,o3,2.129,5.280,-0.433,-0.307).
atm(m345,a2,c,c3,1.886,4.003,-0.952,0.079).
atm(m345,a3,c,c3,1.387,2.977,0.109,-0.145).
atm(m345,a4,c,c3,2.386,1.811,-0.011,-0.078).
atm(m345,a5,c,c3,3.727,2.298,0.568,-0.104).
atm(m345,a6,c,c3,3.129,3.278,-1.577,-0.087).
atm(m345,a7,c,c3,4.249,3.270,-0.507,-0.106).
atm(m345,a8,c,c3,2.664,1.778,-1.547,-0.044).
atm(m345,a9,c,c3,3.752,0.797,-1.964,-0.114).
atm(m345,a10,c,c3,1.418,1.466,-2.367,-0.117).
atm(m345,a11,c,c3,3.561,3.831,-2.908,-0.094).
atm(m345,a12,h,h,1.115,4.220,-1.723,0.076).
atm(m345,a13,h,h,0.365,2.634,-0.146,0.062).
atm(m345,a14,h,h,1.339,3.394,1.130,0.069).
atm(m345,a15,h,h,2.026,0.860,0.424,0.080).
atm(m345,a16,h,h,4.423,1.457,0.737,0.055).
atm(m345,a17,h,h,3.598,2.787,1.551,0.054).
atm(m345,a18,h,h,5.200,2.911,-0.947,0.063).
atm(m345,a19,h,h,4.446,4.283,-0.105,0.052).
atm(m345,a20,h,h,3.807,0.714,-3.059,0.044).
atm(m345,a21,h,h,4.750,1.107,-1.617,0.050).
atm(m345,a22,h,h,3.552,-0.203,-1.561,0.044).
atm(m345,a23,h,h,1.521,1.832,-3.397,0.047).
atm(m345,a24,h,h,1.242,0.383,-2.414,0.044).
atm(m345,a25,h,h,0.511,1.919,-1.937,0.051).
atm(m345,a26,h,h,4.376,3.233,-3.338,0.044).
atm(m345,a27,h,h,2.732,3.832,-3.629,0.046).
atm(m345,a28,h,h,3.916,4.865,-2.807,0.048).
atm(m345,a29,h,h,2.910,5.219,0.112,0.189).
bond(m345,a1,a2,1).
bond(m345,a1,a29,1).
bond(m345,a2,a3,1).
bond(m345,a2,a6,1).
bond(m345,a2,a12,1).
bond(m345,a3,a4,1).
bond(m345,a3,a13,1).
bond(m345,a3,a14,1).
bond(m345,a4,a5,1).
bond(m345,a4,a8,1).
bond(m345,a4,a15,1).
bond(m345,a5,a7,1).
bond(m345,a5,a16,1).
bond(m345,a5,a17,1).
bond(m345,a6,a7,1).
bond(m345,a6,a8,1).
bond(m345,a6,a11,1).
bond(m345,a7,a18,1).
bond(m345,a7,a19,1).
bond(m345,a8,a9,1).
bond(m345,a8,a10,1).
bond(m345,a9,a20,1).
bond(m345,a9,a21,1).
bond(m345,a9,a22,1).
bond(m345,a10,a23,1).
bond(m345,a10,a24,1).
bond(m345,a10,a25,1).
bond(m345,a11,a26,1).
bond(m345,a11,a27,1).
bond(m345,a11,a28,1).
atm(m346,a1,o,o2,-1.313,2.684,2.839,-0.302).
atm(m346,a2,c,c2,-1.137,1.950,1.895,0.288).
atm(m346,a3,c,c3,-1.288,0.428,1.884,-0.167).
atm(m346,a4,c,c3,-0.839,0.068,0.453,-0.076).
atm(m346,a5,c,c3,0.676,0.336,0.378,-0.106).
atm(m346,a6,c,c3,-0.701,2.344,0.468,-0.102).
atm(m346,a7,c,c3,0.776,1.874,0.396,-0.094).
atm(m346,a8,c,c3,-1.441,1.247,-0.380,-0.044).
atm(m346,a9,c,c3,-1.060,1.227,-1.852,-0.109).
atm(m346,a10,c,c3,-2.961,1.315,-0.298,-0.121).
atm(m346,a11,c,c3,-0.916,3.777,0.073,-0.088).
atm(m346,a12,h,h,-2.349,0.152,2.051,0.083).
atm(m346,a13,h,h,-0.693,-0.071,2.668,0.084).
atm(m346,a14,h,h,-1.140,-0.944,0.126,0.084).
atm(m346,a15,h,h,1.116,-0.095,-0.540,0.057).
atm(m346,a16,h,h,1.218,-0.130,1.220,0.058).
atm(m346,a17,h,h,1.270,2.268,-0.512,0.061).
atm(m346,a18,h,h,1.365,2.251,1.250,0.061).
atm(m346,a19,h,h,-1.526,2.068,-2.385,0.046).
atm(m346,a20,h,h,0.023,1.303,-2.017,0.049).
atm(m346,a21,h,h,-1.400,0.298,-2.328,0.044).
atm(m346,a22,h,h,-3.331,2.297,-0.622,0.051).
atm(m346,a23,h,h,-3.423,0.556,-0.944,0.046).
atm(m346,a24,h,h,-3.333,1.137,0.723,0.049).
atm(m346,a25,h,h,-0.613,3.945,-0.970,0.044).
atm(m346,a26,h,h,-1.972,4.063,0.164,0.049).
atm(m346,a27,h,h,-0.331,4.454,0.708,0.053).
bond(m346,a1,a2,2).
bond(m346,a2,a3,1).
bond(m346,a2,a6,1).
bond(m346,a3,a4,1).
bond(m346,a3,a12,1).
bond(m346,a3,a13,1).
bond(m346,a4,a5,1).
bond(m346,a4,a8,1).
bond(m346,a4,a14,1).
bond(m346,a5,a7,1).
bond(m346,a5,a15,1).
bond(m346,a5,a16,1).
bond(m346,a6,a7,1).
bond(m346,a6,a8,1).
bond(m346,a6,a11,1).
bond(m346,a7,a17,1).
bond(m346,a7,a18,1).
bond(m346,a8,a9,1).
bond(m346,a8,a10,1).
bond(m346,a9,a19,1).
bond(m346,a9,a20,1).
bond(m346,a9,a21,1).
bond(m346,a10,a22,1).
bond(m346,a10,a23,1).
bond(m346,a10,a24,1).
bond(m346,a11,a25,1).
bond(m346,a11,a26,1).
bond(m346,a11,a27,1).
atm(m347,a1,c,c3,3.785,1.788,2.967,-0.125).
atm(m347,a2,c,c3,3.080,2.415,1.765,-0.100).
atm(m347,a3,c,c3,3.473,3.892,1.672,-0.102).
atm(m347,a4,c,c3,5.020,3.990,1.574,0.102).
atm(m347,a5,c,c3,5.538,3.251,0.334,-0.139).
atm(m347,a6,c,c3,5.473,5.454,1.515,-0.139).
atm(m347,a7,o,o3,5.624,3.384,2.736,-0.250).
atm(m347,a8,c,c3,4.652,2.862,3.659,0.102).
atm(m347,a9,c,c3,5.450,2.265,4.815,-0.114).
atm(m347,a10,c,c3,3.015,4.612,2.943,-0.099).
atm(m347,a11,c,c3,3.724,3.995,4.148,-0.125).
atm(m347,a12,h,h,4.416,0.935,2.652,0.062).
atm(m347,a13,h,h,3.057,1.376,3.691,0.057).
atm(m347,a14,h,h,3.385,1.897,0.830,0.060).
atm(m347,a15,h,h,1.982,2.311,1.838,0.054).
atm(m347,a16,h,h,3.013,4.360,0.773,0.075).
atm(m347,a17,h,h,6.631,3.154,0.350,0.055).
atm(m347,a18,h,h,5.109,2.237,0.269,0.052).
atm(m347,a19,h,h,5.262,3.784,-0.585,0.043).
atm(m347,a20,h,h,6.559,5.545,1.645,0.055).
atm(m347,a21,h,h,5.212,5.906,0.549,0.043).
atm(m347,a22,h,h,4.986,6.052,2.302,0.052).
atm(m347,a23,h,h,6.081,3.020,5.303,0.051).
atm(m347,a24,h,h,6.108,1.454,4.476,0.051).
atm(m347,a25,h,h,4.774,1.852,5.575,0.043).
atm(m347,a26,h,h,3.267,5.692,2.862,0.060).
atm(m347,a27,h,h,1.916,4.553,3.045,0.054).
atm(m347,a28,h,h,4.312,4.760,4.692,0.062).
atm(m347,a29,h,h,2.999,3.593,4.879,0.057).
bond(m347,a1,a2,1).
bond(m347,a1,a8,1).
bond(m347,a1,a12,1).
bond(m347,a1,a13,1).
bond(m347,a2,a3,1).
bond(m347,a2,a14,1).
bond(m347,a2,a15,1).
bond(m347,a3,a4,1).
bond(m347,a3,a10,1).
bond(m347,a3,a16,1).
bond(m347,a4,a5,1).
bond(m347,a4,a6,1).
bond(m347,a4,a7,1).
bond(m347,a5,a17,1).
bond(m347,a5,a18,1).
bond(m347,a5,a19,1).
bond(m347,a6,a20,1).
bond(m347,a6,a21,1).
bond(m347,a6,a22,1).
bond(m347,a7,a8,1).
bond(m347,a8,a11,1).
bond(m347,a8,a9,1).
bond(m347,a9,a23,1).
bond(m347,a9,a24,1).
bond(m347,a9,a25,1).
bond(m347,a10,a11,1).
bond(m347,a10,a26,1).
bond(m347,a10,a27,1).
bond(m347,a11,a28,1).
bond(m347,a11,a29,1).
atm(m348,a1,c,c3,7.366,4.720,0.280,-0.057).
atm(m348,a2,c,c2,7.920,3.330,0.317,-0.084).
atm(m348,a3,c,c2,9.146,3.076,0.827,-0.121).
atm(m348,a4,c,c3,9.753,1.720,0.865,-0.072).
atm(m348,a5,c,c3,10.001,4.155,1.392,-0.077).
atm(m348,a6,c,c2,7.068,2.273,-0.214,-0.120).
atm(m348,a7,c,c2,5.879,2.511,-0.794,-0.102).
atm(m348,a8,c,c3,5.001,1.403,-1.255,-0.051).
atm(m348,a9,c,c3,3.626,1.486,-0.610,-0.151).
atm(m348,a10,c,c3,3.158,2.917,-0.310,-0.055).
atm(m348,a11,c,c3,1.604,3.002,-0.234,-0.018).
atm(m348,a12,c,c3,1.108,2.164,0.956,-0.125).
atm(m348,a13,c,c2,0.923,2.403,-1.466,0.391).
atm(m348,a14,o,o2,1.177,1.352,-2.037,-0.407).
atm(m348,a15,o,o3,-0.145,3.050,-1.986,-0.301).
atm(m348,a16,c,c3,1.181,4.460,0.016,-0.097).
atm(m348,a17,c,c3,1.780,5.414,-0.998,-0.107).
atm(m348,a18,c,c3,3.293,5.374,-0.925,-0.116).
atm(m348,a19,c,c3,3.831,3.963,-1.233,-0.022).
atm(m348,a20,c,c3,3.556,3.708,-2.720,-0.145).
atm(m348,a21,c,c3,5.369,3.911,-0.982,-0.032).
atm(m348,a22,c,c3,5.848,4.729,0.223,-0.105).
atm(m348,a23,h,h,7.786,5.244,-0.604,0.056).
atm(m348,a24,h,h,7.726,5.293,1.164,0.061).
atm(m348,a25,h,h,10.688,1.701,0.289,0.045).
atm(m348,a26,h,h,9.991,1.428,1.897,0.045).
atm(m348,a27,h,h,9.088,0.947,0.447,0.049).
atm(m348,a28,h,h,10.595,3.796,2.243,0.045).
atm(m348,a29,h,h,10.700,4.530,0.632,0.047).
atm(m348,a30,h,h,9.400,5.011,1.741,0.049).
atm(m348,a31,h,h,7.441,1.242,-0.102,0.112).
atm(m348,a32,h,h,5.454,0.413,-1.055,0.055).
atm(m348,a33,h,h,4.904,1.474,-2.363,0.065).
atm(m348,a34,h,h,3.626,0.909,0.336,0.052).
atm(m348,a35,h,h,2.879,0.979,-1.276,0.113).
atm(m348,a36,h,h,3.511,3.180,0.723,0.072).
atm(m348,a37,h,h,0.022,2.261,1.086,0.048).
atm(m348,a38,h,h,1.334,1.097,0.826,0.060).
atm(m348,a39,h,h,1.581,2.488,1.893,0.052).
atm(m348,a40,h,h,-0.480,2.547,-2.724,0.227).
atm(m348,a41,h,h,1.506,4.753,1.036,0.058).
atm(m348,a42,h,h,0.076,4.546,0.022,0.067).
atm(m348,a43,h,h,1.411,6.441,-0.820,0.055).
atm(m348,a44,h,h,1.456,5.138,-2.027,0.067).
atm(m348,a45,h,h,3.727,6.097,-1.645,0.056).
atm(m348,a46,h,h,3.639,5.713,0.076,0.064).
atm(m348,a47,h,h,4.148,4.380,-3.357,0.045).
atm(m348,a48,h,h,3.797,2.676,-3.020,0.067).
atm(m348,a49,h,h,2.494,3.893,-2.952,0.049).
atm(m348,a50,h,h,5.866,4.327,-1.896,0.076).
atm(m348,a51,h,h,5.469,5.771,0.167,0.058).
atm(m348,a52,h,h,5.428,4.311,1.161,0.059).
bond(m348,a1,a2,1).
bond(m348,a1,a22,1).
bond(m348,a1,a23,1).
bond(m348,a1,a24,1).
bond(m348,a2,a3,2).
bond(m348,a2,a6,1).
bond(m348,a3,a4,1).
bond(m348,a3,a5,1).
bond(m348,a4,a25,1).
bond(m348,a4,a26,1).
bond(m348,a4,a27,1).
bond(m348,a5,a28,1).
bond(m348,a5,a29,1).
bond(m348,a5,a30,1).
bond(m348,a6,a7,2).
bond(m348,a6,a31,1).
bond(m348,a7,a8,1).
bond(m348,a7,a21,1).
bond(m348,a8,a9,1).
bond(m348,a8,a32,1).
bond(m348,a8,a33,1).
bond(m348,a9,a10,1).
bond(m348,a9,a34,1).
bond(m348,a9,a35,1).
bond(m348,a10,a11,1).
bond(m348,a10,a19,1).
bond(m348,a10,a36,1).
bond(m348,a11,a12,1).
bond(m348,a11,a13,1).
bond(m348,a11,a16,1).
bond(m348,a12,a37,1).
bond(m348,a12,a38,1).
bond(m348,a12,a39,1).
bond(m348,a13,a14,2).
bond(m348,a13,a15,1).
bond(m348,a15,a40,1).
bond(m348,a16,a17,1).
bond(m348,a16,a41,1).
bond(m348,a16,a42,1).
bond(m348,a17,a18,1).
bond(m348,a17,a43,1).
bond(m348,a17,a44,1).
bond(m348,a18,a19,1).
bond(m348,a18,a45,1).
bond(m348,a18,a46,1).
bond(m348,a19,a20,1).
bond(m348,a19,a21,1).
bond(m348,a20,a47,1).
bond(m348,a20,a48,1).
bond(m348,a20,a49,1).
bond(m348,a21,a22,1).
bond(m348,a21,a50,1).
bond(m348,a22,a51,1).
bond(m348,a22,a52,1).
atm(m349,a1,n,nar,5.972,3.822,-0.027,-0.077).
atm(m349,a2,c,car,6.238,2.502,0.031,-0.216).
atm(m349,a3,c,car,7.625,1.955,0.046,0.008).
atm(m349,a4,c,car,8.719,2.830,0.034,-0.070).
atm(m349,a5,c,car,10.025,2.342,0.049,-0.101).
atm(m349,a6,c,car,10.257,0.969,0.074,-0.101).
atm(m349,a7,c,car,9.179,0.087,0.084,-0.098).
atm(m349,a8,c,car,7.872,0.577,0.070,-0.117).
atm(m349,a9,n,npl3,5.051,1.802,0.078,0.378).
atm(m349,a10,c,car,4.020,2.715,0.052,-0.262).
atm(m349,a11,c,car,2.573,2.371,0.131,0.010).
atm(m349,a12,c,car,2.075,1.251,-0.545,-0.116).
atm(m349,a13,c,car,0.722,0.919,-0.473,-0.096).
atm(m349,a14,c,car,-0.149,1.701,0.282,-0.102).
atm(m349,a15,c,car,0.338,2.809,0.972,-0.097).
atm(m349,a16,c,car,1.692,3.136,0.903,-0.088).
atm(m349,a17,c,car,4.629,3.984,-0.026,-0.057).
atm(m349,a18,c,car,3.998,5.325,-0.120,0.003).
atm(m349,a19,c,car,2.787,5.519,-0.794,-0.102).
atm(m349,a20,c,car,2.214,6.788,-0.875,-0.109).
atm(m349,a21,c,car,2.855,7.882,-0.299,-0.104).
atm(m349,a22,c,car,4.073,7.706,0.354,-0.109).
atm(m349,a23,c,car,4.641,6.435,0.438,-0.080).
atm(m349,a24,h,h,8.554,3.920,0.014,0.129).
atm(m349,a25,h,h,10.876,3.045,0.041,0.107).
atm(m349,a26,h,h,11.290,0.582,0.084,0.105).
atm(m349,a27,h,h,9.358,-1.001,0.103,0.104).
atm(m349,a28,h,h,7.035,-0.138,0.078,0.091).
atm(m349,a29,h,h,4.941,0.733,0.145,0.092).
atm(m349,a30,h,h,2.753,0.626,-1.148,0.099).
atm(m349,a31,h,h,0.342,0.036,-1.014,0.105).
atm(m349,a32,h,h,-1.219,1.439,0.339,0.106).
atm(m349,a33,h,h,-0.347,3.423,1.581,0.108).
atm(m349,a34,h,h,2.064,4.001,1.478,0.122).
atm(m349,a35,h,h,2.281,4.674,-1.288,0.113).
atm(m349,a36,h,h,1.257,6.927,-1.406,0.103).
atm(m349,a37,h,h,2.406,8.887,-0.368,0.101).
atm(m349,a38,h,h,4.590,8.571,0.801,0.103).
atm(m349,a39,h,h,5.608,6.309,0.953,0.118).
bond(m349,a1,a2,ar).
bond(m349,a1,a17,ar).
bond(m349,a2,a3,1).
bond(m349,a2,a9,ar).
bond(m349,a3,a4,ar).
bond(m349,a3,a8,ar).
bond(m349,a4,a5,ar).
bond(m349,a4,a24,1).
bond(m349,a5,a6,ar).
bond(m349,a5,a25,1).
bond(m349,a6,a7,ar).
bond(m349,a6,a26,1).
bond(m349,a7,a8,ar).
bond(m349,a7,a27,1).
bond(m349,a8,a28,1).
bond(m349,a9,a10,ar).
bond(m349,a9,a29,1).
bond(m349,a10,a11,1).
bond(m349,a10,a17,ar).
bond(m349,a11,a12,ar).
bond(m349,a11,a16,ar).
bond(m349,a12,a13,ar).
bond(m349,a12,a30,1).
bond(m349,a13,a14,ar).
bond(m349,a13,a31,1).
bond(m349,a14,a15,ar).
bond(m349,a14,a32,1).
bond(m349,a15,a16,ar).
bond(m349,a15,a33,1).
bond(m349,a16,a34,1).
bond(m349,a17,a18,1).
bond(m349,a18,a19,ar).
bond(m349,a18,a23,ar).
bond(m349,a19,a20,ar).
bond(m349,a19,a35,1).
bond(m349,a20,a21,ar).
bond(m349,a20,a36,1).
bond(m349,a21,a22,ar).
bond(m349,a21,a37,1).
bond(m349,a22,a23,ar).
bond(m349,a22,a38,1).
bond(m349,a23,a39,1).
atm(m34,a1,c,c3,2.424,0.000,0.000,-0.152).
atm(m34,a2,c,c3,1.118,0.775,0.000,0.069).
atm(m34,a3,o,o3,-0.047,-0.014,-0.002,-0.322).
atm(m34,a4,h,h,3.279,0.688,0.002,0.051).
atm(m34,a5,h,h,2.521,-0.645,0.884,0.044).
atm(m34,a6,h,h,2.523,-0.641,-0.886,0.044).
atm(m34,a7,h,h,1.036,1.423,0.892,0.038).
atm(m34,a8,h,h,1.038,1.425,-0.890,0.038).
atm(m34,a9,h,h,0.209,-0.927,-0.001,0.189).
bond(m34,a1,a2,1).
bond(m34,a1,a4,1).
bond(m34,a1,a5,1).
bond(m34,a1,a6,1).
bond(m34,a2,a3,1).
bond(m34,a2,a7,1).
bond(m34,a2,a8,1).
bond(m34,a3,a9,1).
atm(m350,a1,c,c3,0.823,0.265,0.000,-0.058).
atm(m350,a2,c,c3,-0.018,1.561,0.000,0.052).
atm(m350,a3,o,o3,0.873,2.695,-0.005,-0.187).
atm(m350,a4,c,car,2.166,2.202,-0.008,0.086).
atm(m350,a5,c,car,3.309,2.988,-0.013,-0.131).
atm(m350,a6,c,car,4.534,2.316,-0.015,-0.069).
atm(m350,a7,c,car,4.599,0.927,-0.013,-0.141).
atm(m350,a8,c,car,3.438,0.148,-0.008,-0.045).
atm(m350,a9,c,car,2.218,0.794,-0.005,-0.168).
atm(m350,a10,h,h,0.619,-0.367,-0.883,0.065).
atm(m350,a11,h,h,0.625,-0.363,0.887,0.065).
atm(m350,a12,h,h,-0.650,1.672,0.896,0.050).
atm(m350,a13,h,h,-0.655,1.668,-0.892,0.050).
atm(m350,a14,h,h,3.256,4.080,-0.015,0.121).
atm(m350,a15,h,h,5.461,2.900,-0.020,0.101).
atm(m350,a16,h,h,5.576,0.432,-0.015,0.105).
atm(m350,a17,h,h,3.496,-0.945,-0.006,0.105).
bond(m350,a1,a2,1).
bond(m350,a1,a9,1).
bond(m350,a1,a10,1).
bond(m350,a1,a11,1).
bond(m350,a2,a3,1).
bond(m350,a2,a12,1).
bond(m350,a2,a13,1).
bond(m350,a3,a4,1).
bond(m350,a4,a5,ar).
bond(m350,a4,a9,ar).
bond(m350,a5,a6,ar).
bond(m350,a5,a14,1).
bond(m350,a6,a7,ar).
bond(m350,a6,a15,1).
bond(m350,a7,a8,ar).
bond(m350,a7,a16,1).
bond(m350,a8,a9,ar).
bond(m350,a8,a17,1).
atm(m351,a1,c,c3,1.688,0.195,1.607,-0.100).
atm(m351,a2,c,c3,2.401,1.561,1.699,-0.100).
atm(m351,a3,c,c3,2.629,1.949,0.224,-0.085).
atm(m351,a4,c,c3,2.902,0.569,-0.415,-0.109).
atm(m351,a5,c,c3,1.581,-0.052,0.088,-0.085).
atm(m351,a6,c,c3,0.543,0.937,-0.480,-0.100).
atm(m351,a7,c,c3,1.258,2.301,-0.390,-0.100).
atm(m351,a8,h,h,0.699,0.203,2.097,0.053).
atm(m351,a9,h,h,2.271,-0.603,2.099,0.049).
atm(m351,a10,h,h,3.359,1.485,2.242,0.049).
atm(m351,a11,h,h,1.800,2.316,2.238,0.053).
atm(m351,a12,h,h,3.405,2.720,0.072,0.076).
atm(m351,a13,h,h,3.805,0.070,-0.027,0.058).
atm(m351,a14,h,h,2.991,0.596,-1.513,0.058).
atm(m351,a15,h,h,1.401,-1.107,-0.187,0.076).
atm(m351,a16,h,h,-0.403,0.919,0.091,0.053).
atm(m351,a17,h,h,0.278,0.682,-1.521,0.049).
atm(m351,a18,h,h,1.377,2.764,-1.386,0.049).
atm(m351,a19,h,h,0.702,3.030,0.225,0.053).
bond(m351,a1,a5,1).
bond(m351,a1,a2,1).
bond(m351,a1,a8,1).
bond(m351,a1,a9,1).
bond(m351,a2,a3,1).
bond(m351,a2,a10,1).
bond(m351,a2,a11,1).
bond(m351,a3,a4,1).
bond(m351,a3,a7,1).
bond(m351,a3,a12,1).
bond(m351,a4,a5,1).
bond(m351,a4,a13,1).
bond(m351,a4,a14,1).
bond(m351,a5,a6,1).
bond(m351,a5,a15,1).
bond(m351,a6,a7,1).
bond(m351,a6,a16,1).
bond(m351,a6,a17,1).
bond(m351,a7,a18,1).
bond(m351,a7,a19,1).
atm(m352,a1,c,c3,1.832,2.217,-0.482,-0.109).
atm(m352,a2,c,c3,2.328,1.028,0.423,-0.068).
atm(m352,a3,c,c2,1.561,-0.115,-0.247,-0.154).
atm(m352,a4,c,c2,0.326,0.402,-0.441,-0.154).
atm(m352,a5,c,c3,0.435,1.819,0.126,-0.068).
atm(m352,a6,c,c3,1.226,1.491,1.448,-0.109).
atm(m352,a7,h,h,1.953,2.104,-1.567,0.061).
atm(m352,a8,h,h,2.203,3.211,-0.199,0.057).
atm(m352,a9,h,h,3.376,0.897,0.703,0.092).
atm(m352,a10,h,h,1.972,-1.089,-0.484,0.121).
atm(m352,a11,h,h,-0.566,-0.029,-0.881,0.121).
atm(m352,a12,h,h,-0.429,2.488,0.108,0.092).
atm(m352,a13,h,h,1.493,2.361,2.065,0.057).
atm(m352,a14,h,h,0.802,0.723,2.107,0.061).
bond(m352,a1,a2,1).
bond(m352,a1,a5,1).
bond(m352,a1,a7,1).
bond(m352,a1,a8,1).
bond(m352,a2,a3,1).
bond(m352,a2,a6,1).
bond(m352,a2,a9,1).
bond(m352,a3,a4,2).
bond(m352,a3,a10,1).
bond(m352,a4,a5,1).
bond(m352,a4,a11,1).
bond(m352,a5,a6,1).
bond(m352,a5,a12,1).
bond(m352,a6,a13,1).
bond(m352,a6,a14,1).
atm(m353,a1,n,nar,3.634,1.395,0.000,0.068).
atm(m353,a2,c,car,2.464,2.075,0.000,-0.126).
atm(m353,a3,c,c2,1.196,1.274,0.000,0.398).
atm(m353,a4,o,o2,1.059,0.072,0.000,-0.288).
atm(m353,a5,o,o3,-0.013,1.891,0.000,-0.273).
atm(m353,a6,c,car,2.444,3.477,0.000,-0.097).
atm(m353,a7,c,car,3.646,4.173,0.000,-0.086).
atm(m353,a8,c,car,4.847,3.469,0.000,-0.062).
atm(m353,a9,c,car,4.813,2.068,0.000,-0.089).
atm(m353,a10,c,c2,6.055,1.240,0.000,0.422).
atm(m353,a11,o,o2,6.181,0.032,0.000,-0.346).
atm(m353,a12,o,o3,7.216,1.946,0.000,-0.318).
atm(m353,a13,h,h,0.092,2.838,0.000,0.194).
atm(m353,a14,h,h,1.484,4.013,0.000,0.114).
atm(m353,a15,h,h,3.650,5.269,0.000,0.120).
atm(m353,a16,h,h,5.802,4.009,0.000,0.136).
atm(m353,a17,h,h,7.953,1.343,0.000,0.234).
bond(m353,a1,a2,ar).
bond(m353,a1,a9,ar).
bond(m353,a2,a3,1).
bond(m353,a2,a6,ar).
bond(m353,a3,a4,2).
bond(m353,a3,a5,1).
bond(m353,a5,a13,1).
bond(m353,a6,a7,ar).
bond(m353,a6,a14,1).
bond(m353,a7,a8,ar).
bond(m353,a7,a15,1).
bond(m353,a8,a9,ar).
bond(m353,a8,a16,1).
bond(m353,a9,a10,1).
bond(m353,a10,a11,2).
bond(m353,a10,a12,1).
bond(m353,a12,a17,1).
atm(m354,a1,n,nar,4.195,0.000,0.000,-0.091).
atm(m354,a2,c,car,2.845,0.005,0.000,-0.016).
atm(m354,a3,c,car,2.116,1.202,0.000,-0.251).
atm(m354,a4,c,c2,0.635,1.143,0.000,0.333).
atm(m354,a5,o,o2,-0.073,2.124,0.000,-0.311).
atm(m354,a6,c,car,2.811,2.413,0.000,0.001).
atm(m354,a7,c,car,4.202,2.399,0.000,-0.167).
atm(m354,a8,c,car,4.870,1.174,0.000,-0.031).
atm(m354,a9,h,h,2.362,-0.981,0.000,0.120).
atm(m354,a10,h,h,0.187,0.134,0.000,0.050).
atm(m354,a11,h,h,2.261,3.362,0.000,0.124).
atm(m354,a12,h,h,4.768,3.336,0.000,0.120).
atm(m354,a13,h,h,5.964,1.094,0.000,0.120).
bond(m354,a1,a2,ar).
bond(m354,a1,a8,ar).
bond(m354,a2,a3,ar).
bond(m354,a2,a9,1).
bond(m354,a3,a4,1).
bond(m354,a3,a6,ar).
bond(m354,a4,a5,2).
bond(m354,a4,a10,1).
bond(m354,a6,a7,ar).
bond(m354,a6,a11,1).
bond(m354,a7,a8,ar).
bond(m354,a7,a12,1).
bond(m354,a8,a13,1).
atm(m355,a1,c,c3,8.493,2.803,0.000,-0.108).
atm(m355,a2,c,c3,7.188,2.054,-0.140,-0.110).
atm(m355,a3,c,c3,7.230,0.720,0.590,-0.091).
atm(m355,a4,c,c3,5.898,-0.015,0.545,-0.157).
atm(m355,a5,c,c2,4.935,0.500,1.604,0.276).
atm(m355,a6,o,o2,4.898,0.006,2.714,-0.311).
atm(m355,a7,c,c3,4.048,1.644,1.169,-0.163).
atm(m355,a8,c,c3,3.175,2.218,2.270,-0.096).
atm(m355,a9,c,c3,2.323,3.366,1.751,-0.097).
atm(m355,a10,c,c3,1.453,3.943,2.844,-0.109).
atm(m355,a11,h,h,9.335,2.226,-0.406,0.040).
atm(m355,a12,h,h,8.462,3.760,-0.535,0.039).
atm(m355,a13,h,h,8.724,3.022,1.051,0.041).
atm(m355,a14,h,h,6.347,2.671,0.250,0.054).
atm(m355,a15,h,h,6.957,1.890,-1.212,0.050).
atm(m355,a16,h,h,8.014,0.081,0.135,0.054).
atm(m355,a17,h,h,7.546,0.870,1.642,0.063).
atm(m355,a18,h,h,5.437,0.077,-0.459,0.065).
atm(m355,a19,h,h,6.071,-1.099,0.697,0.074).
atm(m355,a20,h,h,4.706,2.438,0.743,0.081).
atm(m355,a21,h,h,3.418,1.292,0.326,0.072).
atm(m355,a22,h,h,2.526,1.425,2.694,0.064).
atm(m355,a23,h,h,3.806,2.564,3.113,0.062).
atm(m355,a24,h,h,2.973,4.157,1.327,0.046).
atm(m355,a25,h,h,1.692,3.017,0.909,0.046).
atm(m355,a26,h,h,2.054,4.332,3.677,0.040).
atm(m355,a27,h,h,0.839,4.771,2.469,0.037).
atm(m355,a28,h,h,0.771,3.190,3.259,0.040).
bond(m355,a1,a2,1).
bond(m355,a1,a11,1).
bond(m355,a1,a12,1).
bond(m355,a1,a13,1).
bond(m355,a2,a3,1).
bond(m355,a2,a14,1).
bond(m355,a2,a15,1).
bond(m355,a3,a4,1).
bond(m355,a3,a16,1).
bond(m355,a3,a17,1).
bond(m355,a4,a5,1).
bond(m355,a4,a18,1).
bond(m355,a4,a19,1).
bond(m355,a5,a6,2).
bond(m355,a5,a7,1).
bond(m355,a7,a8,1).
bond(m355,a7,a20,1).
bond(m355,a7,a21,1).
bond(m355,a8,a9,1).
bond(m355,a8,a22,1).
bond(m355,a8,a23,1).
bond(m355,a9,a10,1).
bond(m355,a9,a24,1).
bond(m355,a9,a25,1).
bond(m355,a10,a26,1).
bond(m355,a10,a27,1).
bond(m355,a10,a28,1).
atm(m356,a1,c,c2,3.498,2.425,0.000,-0.170).
atm(m356,a2,c,c2,2.161,2.423,0.000,-0.066).
atm(m356,a3,c,c3,1.417,3.714,0.000,-0.075).
atm(m356,a4,c,c2,1.378,1.174,0.000,-0.067).
atm(m356,a5,c,c3,2.103,-0.130,0.000,-0.083).
atm(m356,a6,c,c2,0.041,1.166,0.000,-0.171).
atm(m356,a7,h,h,4.087,3.338,0.000,0.086).
atm(m356,a8,h,h,4.087,1.508,0.000,0.090).
atm(m356,a9,h,h,2.092,4.581,0.000,0.043).
atm(m356,a10,h,h,0.775,3.800,-0.888,0.048).
atm(m356,a11,h,h,0.775,3.800,0.887,0.048).
atm(m356,a12,h,h,3.199,-0.010,0.000,0.052).
atm(m356,a13,h,h,1.840,-0.723,0.886,0.047).
atm(m356,a14,h,h,1.840,-0.724,-0.886,0.047).
atm(m356,a15,h,h,-0.573,2.062,0.000,0.088).
atm(m356,a16,h,h,-0.528,0.240,0.000,0.083).
bond(m356,a1,a2,2).
bond(m356,a1,a7,1).
bond(m356,a1,a8,1).
bond(m356,a2,a3,1).
bond(m356,a2,a4,1).
bond(m356,a3,a9,1).
bond(m356,a3,a10,1).
bond(m356,a3,a11,1).
bond(m356,a4,a5,1).
bond(m356,a4,a6,2).
bond(m356,a5,a12,1).
bond(m356,a5,a13,1).
bond(m356,a5,a14,1).
bond(m356,a6,a15,1).
bond(m356,a6,a16,1).
atm(m357,a1,o,o2,1.454,-3.691,4.203,-0.336).
atm(m357,a2,c,c2,1.053,-3.507,3.073,0.349).
atm(m357,a3,o,o3,-0.122,-2.833,3.105,-0.276).
atm(m357,a4,c,c3,1.687,-3.977,1.748,-0.058).
atm(m357,a5,c,c3,1.599,-2.830,0.705,-0.067).
atm(m357,a6,c,c3,1.907,-3.250,-0.756,-0.024).
atm(m357,a7,c,c3,1.492,-2.052,-1.656,-0.029).
atm(m357,a8,c,c2,2.141,-0.775,-1.205,-0.073).
atm(m357,a9,c,c2,2.547,-0.590,0.062,-0.143).
atm(m357,a10,c,c2,2.280,0.290,-2.190,-0.115).
atm(m357,a11,c,c2,1.938,0.145,-3.480,-0.109).
atm(m357,a12,c,c3,1.385,-1.139,-4.001,-0.050).
atm(m357,a13,c,c3,2.044,1.282,-4.460,-0.032).
atm(m357,a14,c,c3,0.755,2.093,-4.432,-0.111).
atm(m357,a15,c,c3,3.242,2.173,-4.167,-0.118).
atm(m357,a16,c,c3,1.780,-2.320,-3.133,-0.109).
atm(m357,a17,c,c3,1.038,-4.470,-1.113,-0.109).
atm(m357,a18,c,c3,1.275,-5.603,-0.131,-0.110).
atm(m357,a19,c,c3,3.376,-3.602,-0.989,-0.146).
atm(m357,a20,c,c3,2.437,-1.621,1.122,-0.076).
atm(m357,a21,c,c3,0.859,-5.185,1.267,-0.099).
atm(m357,a22,c,c3,3.123,-4.425,2.007,-0.138).
atm(m357,a23,h,h,0.518,-2.506,0.696,0.055).
atm(m357,a24,h,h,0.387,-1.898,-1.547,0.070).
atm(m357,a25,h,h,3.001,0.361,0.369,0.105).
atm(m357,a26,h,h,2.690,1.255,-1.847,0.113).
atm(m357,a27,h,h,1.726,-1.311,-5.041,0.058).
atm(m357,a28,h,h,0.280,-1.045,-4.056,0.058).
atm(m357,a29,h,h,2.171,0.854,-5.486,0.065).
atm(m357,a30,h,h,0.600,2.569,-3.454,0.044).
atm(m357,a31,h,h,-0.118,1.458,-4.631,0.040).
atm(m357,a32,h,h,0.768,2.888,-5.189,0.041).
atm(m357,a33,h,h,4.186,1.648,-4.357,0.043).
atm(m357,a34,h,h,3.251,2.487,-3.110,0.046).
atm(m357,a35,h,h,3.230,3.077,-4.788,0.044).
atm(m357,a36,h,h,2.860,-2.556,-3.264,0.067).
atm(m357,a37,h,h,1.239,-3.236,-3.452,0.056).
atm(m357,a38,h,h,1.265,-4.790,-2.151,0.062).
atm(m357,a39,h,h,-0.035,-4.188,-1.116,0.054).
atm(m357,a40,h,h,2.363,-5.862,-0.125,0.069).
atm(m357,a41,h,h,0.729,-6.512,-0.443,0.059).
atm(m357,a42,h,h,4.051,-2.856,-0.550,0.058).
atm(m357,a43,h,h,3.603,-3.656,-2.066,0.056).
atm(m357,a44,h,h,3.619,-4.585,-0.543,0.059).
atm(m357,a45,h,h,3.460,-1.950,1.423,0.078).
atm(m357,a46,h,h,1.998,-1.160,2.032,0.064).
atm(m357,a47,h,h,0.989,-6.028,1.974,0.067).
atm(m357,a48,h,h,-0.223,-4.939,1.282,0.054).
atm(m357,a49,h,h,3.794,-3.559,2.125,0.060).
atm(m357,a50,h,h,3.491,-5.023,1.153,0.062).
atm(m357,a51,h,h,3.205,-5.046,2.908,0.069).
atm(m357,a52,h,h,-0.407,-2.636,2.217,0.201).
bond(m357,a1,a2,2).
bond(m357,a2,a3,1).
bond(m357,a2,a4,1).
bond(m357,a3,a52,1).
bond(m357,a4,a5,1).
bond(m357,a4,a21,1).
bond(m357,a4,a22,1).
bond(m357,a5,a6,1).
bond(m357,a5,a20,1).
bond(m357,a5,a23,1).
bond(m357,a6,a7,1).
bond(m357,a6,a17,1).
bond(m357,a6,a19,1).
bond(m357,a7,a8,1).
bond(m357,a7,a16,1).
bond(m357,a7,a24,1).
bond(m357,a8,a9,2).
bond(m357,a8,a10,1).
bond(m357,a9,a20,1).
bond(m357,a9,a25,1).
bond(m357,a10,a11,2).
bond(m357,a10,a26,1).
bond(m357,a11,a12,1).
bond(m357,a11,a13,1).
bond(m357,a12,a16,1).
bond(m357,a12,a27,1).
bond(m357,a12,a28,1).
bond(m357,a13,a14,1).
bond(m357,a13,a15,1).
bond(m357,a13,a29,1).
bond(m357,a14,a30,1).
bond(m357,a14,a31,1).
bond(m357,a14,a32,1).
bond(m357,a15,a33,1).
bond(m357,a15,a34,1).
bond(m357,a15,a35,1).
bond(m357,a16,a36,1).
bond(m357,a16,a37,1).
bond(m357,a17,a18,1).
bond(m357,a17,a38,1).
bond(m357,a17,a39,1).
bond(m357,a18,a21,1).
bond(m357,a18,a40,1).
bond(m357,a18,a41,1).
bond(m357,a19,a42,1).
bond(m357,a19,a43,1).
bond(m357,a19,a44,1).
bond(m357,a20,a45,1).
bond(m357,a20,a46,1).
bond(m357,a21,a47,1).
bond(m357,a21,a48,1).
bond(m357,a22,a49,1).
bond(m357,a22,a50,1).
bond(m357,a22,a51,1).
atm(m358,a1,c,car,2.100,1.209,0.000,-0.062).
atm(m358,a2,c,car,0.710,1.200,0.000,-0.109).
atm(m358,a3,c,car,-0.003,2.395,0.000,-0.080).
atm(m358,a4,c,car,0.680,3.607,0.000,-0.104).
atm(m358,a5,c,car,2.068,3.623,0.000,-0.080).
atm(m358,a6,c,car,2.793,2.424,0.000,-0.072).
atm(m358,a7,c,c2,4.266,2.493,0.000,0.156).
atm(m358,a8,c,c2,4.960,3.654,0.001,-0.313).
atm(m358,a9,c,c2,6.428,3.683,0.000,0.384).
atm(m358,a10,o,o2,7.063,4.725,0.001,-0.332).
atm(m358,a11,c,car,7.057,2.343,-0.001,-0.212).
atm(m358,a12,c,car,8.446,2.170,-0.001,-0.008).
atm(m358,a13,c,car,8.991,0.895,-0.002,-0.144).
atm(m358,a14,c,car,8.162,-0.228,-0.003,-0.044).
atm(m358,a15,c,car,6.783,-0.088,-0.003,-0.147).
atm(m358,a16,c,car,6.238,1.206,-0.001,0.108).
atm(m358,a17,o,o3,4.859,1.251,-0.001,-0.103).
atm(m358,a18,h,h,2.636,0.253,0.000,0.116).
atm(m358,a19,h,h,0.174,0.245,0.000,0.107).
atm(m358,a20,h,h,-1.098,2.381,0.000,0.106).
atm(m358,a21,h,h,0.125,4.550,0.000,0.108).
atm(m358,a22,h,h,2.615,4.579,0.000,0.117).
atm(m358,a23,h,h,4.415,4.610,0.001,0.145).
atm(m358,a24,h,h,9.095,3.054,-0.001,0.124).
atm(m358,a25,h,h,10.078,0.766,-0.003,0.111).
atm(m358,a26,h,h,8.604,-1.230,-0.004,0.104).
atm(m358,a27,h,h,6.130,-0.969,-0.003,0.124).
bond(m358,a1,a2,ar).
bond(m358,a1,a6,ar).
bond(m358,a1,a18,1).
bond(m358,a2,a3,ar).
bond(m358,a2,a19,1).
bond(m358,a3,a4,ar).
bond(m358,a3,a20,1).
bond(m358,a4,a5,ar).
bond(m358,a4,a21,1).
bond(m358,a5,a6,ar).
bond(m358,a5,a22,1).
bond(m358,a6,a7,1).
bond(m358,a7,a8,2).
bond(m358,a7,a17,1).
bond(m358,a8,a9,1).
bond(m358,a8,a23,1).
bond(m358,a9,a10,2).
bond(m358,a9,a11,1).
bond(m358,a11,a12,ar).
bond(m358,a11,a16,ar).
bond(m358,a12,a13,ar).
bond(m358,a12,a24,1).
bond(m358,a13,a14,ar).
bond(m358,a13,a25,1).
bond(m358,a14,a15,ar).
bond(m358,a14,a26,1).
bond(m358,a15,a16,ar).
bond(m358,a15,a27,1).
bond(m358,a16,a17,1).
atm(m359,a1,o,o3,5.600,2.425,0.000,-0.232).
atm(m359,a2,c,car,4.284,2.502,0.370,0.098).
atm(m359,a3,c,car,3.596,1.276,0.476,-0.102).
atm(m359,a4,c,c3,4.282,-0.013,0.199,-0.052).
atm(m359,a5,c,car,2.255,1.288,0.845,-0.077).
atm(m359,a6,c,car,1.594,2.490,1.111,-0.106).
atm(m359,a7,c,c3,0.166,2.476,1.521,-0.057).
atm(m359,a8,c,car,2.283,3.694,1.002,-0.072).
atm(m359,a9,c,car,3.628,3.718,0.631,-0.163).
atm(m359,a10,c,c3,4.314,5.033,0.516,-0.050).
atm(m359,a11,h,h,5.952,3.310,0.013,0.202).
atm(m359,a12,h,h,5.143,-0.152,0.867,0.050).
atm(m359,a13,h,h,3.613,-0.874,0.336,0.039).
atm(m359,a14,h,h,4.657,-0.044,-0.833,0.050).
atm(m359,a15,h,h,1.707,0.342,0.930,0.108).
atm(m359,a16,h,h,0.078,2.304,2.602,0.045).
atm(m359,a17,h,h,-0.393,1.679,1.013,0.043).
atm(m359,a18,h,h,-0.335,3.427,1.296,0.042).
atm(m359,a19,h,h,1.768,4.640,1.207,0.106).
atm(m359,a20,h,h,5.408,4.936,0.425,0.031).
atm(m359,a21,h,h,3.960,5.579,-0.368,0.049).
atm(m359,a22,h,h,4.116,5.660,1.396,0.050).
bond(m359,a1,a2,1).
bond(m359,a1,a11,1).
bond(m359,a2,a3,ar).
bond(m359,a2,a9,ar).
bond(m359,a3,a4,1).
bond(m359,a3,a5,ar).
bond(m359,a4,a12,1).
bond(m359,a4,a13,1).
bond(m359,a4,a14,1).
bond(m359,a5,a6,ar).
bond(m359,a5,a15,1).
bond(m359,a6,a7,1).
bond(m359,a6,a8,ar).
bond(m359,a7,a16,1).
bond(m359,a7,a17,1).
bond(m359,a7,a18,1).
bond(m359,a8,a9,ar).
bond(m359,a8,a19,1).
bond(m359,a9,a10,1).
bond(m359,a10,a20,1).
bond(m359,a10,a21,1).
bond(m359,a10,a22,1).
atm(m35,a1,c,car,4.256,2.427,0.000,-0.046).
atm(m35,a2,n,nar,5.607,2.465,-0.008,-0.080).
atm(m35,a3,c,car,6.312,1.314,-0.097,-0.061).
atm(m35,a4,c,car,5.674,0.076,-0.179,-0.149).
atm(m35,a5,c,car,4.284,0.030,-0.171,-0.070).
atm(m35,a6,c,car,3.553,1.216,-0.083,-0.129).
atm(m35,a7,c,c3,2.053,1.236,-0.057,-0.003).
atm(m35,a8,c,c3,1.413,-0.036,0.523,-0.125).
atm(m35,a9,c,c3,0.077,-0.200,-0.193,-0.111).
atm(m35,a10,c,c3,0.077,0.795,-1.355,-0.079).
atm(m35,a11,n,n3,1.410,1.473,-1.399,-0.081).
atm(m35,a12,c,c3,2.212,1.116,-2.585,-0.089).
atm(m35,a13,h,h,3.751,3.398,0.074,0.126).
atm(m35,a14,h,h,7.403,1.421,-0.098,0.119).
atm(m35,a15,h,h,6.261,-0.845,-0.248,0.114).
atm(m35,a16,h,h,3.750,-0.930,-0.222,0.117).
atm(m35,a17,h,h,1.730,2.116,0.554,0.078).
atm(m35,a18,h,h,1.291,0.043,1.618,0.062).
atm(m35,a19,h,h,2.065,-0.922,0.359,0.059).
atm(m35,a20,h,h,-0.771,-0.008,0.490,0.057).
atm(m35,a21,h,h,-0.062,-1.238,-0.548,0.052).
atm(m35,a22,h,h,-0.678,1.590,-1.208,0.060).
atm(m35,a23,h,h,-0.166,0.308,-2.319,0.055).
atm(m35,a24,h,h,2.482,0.050,-2.638,0.024).
atm(m35,a25,h,h,1.645,1.377,-3.487,0.048).
atm(m35,a26,h,h,3.138,1.706,-2.578,0.053).
bond(m35,a1,a2,ar).
bond(m35,a1,a6,ar).
bond(m35,a1,a13,1).
bond(m35,a2,a3,ar).
bond(m35,a3,a4,ar).
bond(m35,a3,a14,1).
bond(m35,a4,a5,ar).
bond(m35,a4,a15,1).
bond(m35,a5,a6,ar).
bond(m35,a5,a16,1).
bond(m35,a6,a7,1).
bond(m35,a7,a8,1).
bond(m35,a7,a11,1).
bond(m35,a7,a17,1).
bond(m35,a8,a9,1).
bond(m35,a8,a18,1).
bond(m35,a8,a19,1).
bond(m35,a9,a10,1).
bond(m35,a9,a20,1).
bond(m35,a9,a21,1).
bond(m35,a10,a11,1).
bond(m35,a10,a22,1).
bond(m35,a10,a23,1).
bond(m35,a11,a12,1).
bond(m35,a12,a24,1).
bond(m35,a12,a25,1).
bond(m35,a12,a26,1).
atm(m360,a1,c,car,2.800,1.215,0.000,0.026).
atm(m360,a2,c,c1,4.226,1.184,0.000,-0.089).
atm(m360,a3,n,n1,5.385,1.131,0.000,-0.068).
atm(m360,a4,c,car,2.113,-0.005,0.000,-0.068).
atm(m360,a5,c,car,0.726,-0.017,0.000,-0.111).
atm(m360,a6,c,car,0.020,1.184,0.000,-0.075).
atm(m360,a7,c,car,0.700,2.393,0.000,-0.112).
atm(m360,a8,c,car,2.098,2.428,0.000,-0.034).
atm(m360,a9,c,c3,2.780,3.748,-0.001,-0.078).
atm(m360,a10,h,h,2.671,-0.949,0.001,0.115).
atm(m360,a11,h,h,0.187,-0.970,0.001,0.110).
atm(m360,a12,h,h,-1.076,1.173,0.000,0.106).
atm(m360,a13,h,h,0.141,3.337,-0.001,0.111).
atm(m360,a14,h,h,3.874,3.663,-0.001,0.058).
atm(m360,a15,h,h,2.493,4.331,-0.887,0.054).
atm(m360,a16,h,h,2.493,4.332,0.885,0.054).
bond(m360,a1,a2,1).
bond(m360,a1,a4,ar).
bond(m360,a1,a8,ar).
bond(m360,a2,a3,3).
bond(m360,a4,a5,ar).
bond(m360,a4,a10,1).
bond(m360,a5,a6,ar).
bond(m360,a5,a11,1).
bond(m360,a6,a7,ar).
bond(m360,a6,a12,1).
bond(m360,a7,a8,ar).
bond(m360,a7,a13,1).
bond(m360,a8,a9,1).
bond(m360,a9,a14,1).
bond(m360,a9,a15,1).
bond(m360,a9,a16,1).
atm(m361,a1,c,car,2.102,1.210,0.000,-0.198).
atm(m361,a2,c,c2,0.616,1.197,0.000,0.323).
atm(m361,a3,o,o2,-0.045,0.182,0.000,-0.319).
atm(m361,a4,c,car,2.813,2.421,0.000,-0.021).
atm(m361,a5,c,c3,2.129,3.742,0.000,-0.077).
atm(m361,a6,c,car,4.210,2.391,0.000,-0.125).
atm(m361,a7,c,car,4.895,1.182,0.000,-0.066).
atm(m361,a8,c,car,4.191,-0.015,0.000,-0.126).
atm(m361,a9,c,car,2.801,0.001,0.000,-0.034).
atm(m361,a10,h,h,0.104,2.174,0.000,0.049).
atm(m361,a11,h,h,2.845,4.576,-0.001,0.049).
atm(m361,a12,h,h,1.493,3.861,-0.888,0.051).
atm(m361,a13,h,h,1.493,3.862,0.887,0.051).
atm(m361,a14,h,h,4.773,3.332,0.000,0.110).
atm(m361,a15,h,h,5.990,1.176,0.000,0.103).
atm(m361,a16,h,h,4.727,-0.970,0.000,0.109).
atm(m361,a17,h,h,2.246,-0.946,0.000,0.120).
bond(m361,a1,a2,1).
bond(m361,a1,a4,ar).
bond(m361,a1,a9,ar).
bond(m361,a2,a3,2).
bond(m361,a2,a10,1).
bond(m361,a4,a5,1).
bond(m361,a4,a6,ar).
bond(m361,a5,a11,1).
bond(m361,a5,a12,1).
bond(m361,a5,a13,1).
bond(m361,a6,a7,ar).
bond(m361,a6,a14,1).
bond(m361,a7,a8,ar).
bond(m361,a7,a15,1).
bond(m361,a8,a9,ar).
bond(m361,a8,a16,1).
bond(m361,a9,a17,1).
atm(m362,a1,c,car,2.795,2.423,0.000,-0.074).
atm(m362,a2,c,car,4.183,2.423,0.000,-0.106).
atm(m362,a3,c,car,4.879,1.217,0.000,-0.069).
atm(m362,a4,c,car,4.185,0.013,-0.001,-0.110).
atm(m362,a5,c,car,2.793,0.007,-0.001,-0.033).
atm(m362,a6,c,car,2.093,1.214,0.000,-0.157).
atm(m362,a7,c,c2,0.604,1.197,0.000,0.407).
atm(m362,a8,o,o2,-0.126,0.226,0.000,-0.340).
atm(m362,a9,o,o3,-0.125,2.338,0.001,-0.271).
atm(m362,a10,h,h,2.244,3.375,0.000,0.100).
atm(m362,a11,h,h,4.730,3.372,0.000,0.110).
atm(m362,a12,h,h,5.975,1.219,-0.001,0.107).
atm(m362,a13,h,h,4.732,-0.936,-0.001,0.111).
atm(m362,a14,h,h,2.243,-0.943,-0.001,0.127).
atm(m362,a15,h,h,0.451,3.097,0.001,0.198).
bond(m362,a1,a2,ar).
bond(m362,a1,a6,ar).
bond(m362,a1,a10,1).
bond(m362,a2,a3,ar).
bond(m362,a2,a11,1).
bond(m362,a3,a4,ar).
bond(m362,a3,a12,1).
bond(m362,a4,a5,ar).
bond(m362,a4,a13,1).
bond(m362,a5,a6,ar).
bond(m362,a5,a14,1).
bond(m362,a6,a7,1).
bond(m362,a7,a8,2).
bond(m362,a7,a9,1).
bond(m362,a9,a15,1).
atm(m363,a1,o,o3,4.206,0.000,0.000,-0.230).
atm(m363,a2,c,car,3.471,1.121,0.001,0.293).
atm(m363,a3,c,car,2.061,0.954,0.000,-0.161).
atm(m363,a4,c,c3,1.419,-0.389,-0.001,-0.059).
atm(m363,a5,c,car,1.246,2.072,0.001,0.064).
atm(m363,a6,c,car,1.793,3.370,0.002,-0.475).
atm(m363,a7,n,n4,0.881,4.560,0.003,1.318).
atm(m363,a8,o,oco2,1.362,5.674,0.004,-0.594).
atm(m363,a9,o,oco2,-0.321,4.385,0.002,-0.597).
atm(m363,a10,c,car,3.172,3.544,0.002,0.121).
atm(m363,a11,c,car,4.024,2.429,0.002,-0.560).
atm(m363,a12,n,n4,5.494,2.640,0.002,1.333).
atm(m363,a13,o,oco2,5.969,3.750,0.003,-0.556).
atm(m363,a14,o,oco2,6.209,1.641,0.001,-0.639).
atm(m363,a15,h,h,5.147,0.206,0.000,0.269).
atm(m363,a16,h,h,2.136,-1.220,-0.002,0.067).
atm(m363,a17,h,h,0.781,-0.510,0.886,0.054).
atm(m363,a18,h,h,0.781,-0.509,-0.887,0.054).
atm(m363,a19,h,h,0.154,1.932,0.001,0.139).
atm(m363,a20,h,h,3.602,4.562,0.003,0.157).
bond(m363,a1,a2,1).
bond(m363,a1,a15,1).
bond(m363,a2,a3,ar).
bond(m363,a2,a11,ar).
bond(m363,a3,a4,1).
bond(m363,a3,a5,ar).
bond(m363,a4,a16,1).
bond(m363,a4,a17,1).
bond(m363,a4,a18,1).
bond(m363,a5,a6,ar).
bond(m363,a5,a19,1).
bond(m363,a6,a7,1).
bond(m363,a6,a10,ar).
bond(m363,a7,a8,2).
bond(m363,a7,a9,1).
bond(m363,a10,a11,ar).
bond(m363,a10,a20,1).
bond(m363,a11,a12,1).
bond(m363,a12,a13,2).
bond(m363,a12,a14,1).
atm(m364,a1,c,car,1.214,0.000,0.000,-0.112).
atm(m364,a2,c,car,0.010,0.689,0.000,-0.096).
atm(m364,a3,c,car,0.003,2.081,0.001,-0.110).
atm(m364,a4,c,car,1.206,2.775,0.002,-0.097).
atm(m364,a5,c,car,2.415,2.086,0.001,-0.107).
atm(m364,a6,c,car,2.432,0.692,0.001,-0.068).
atm(m364,a7,c,c3,3.687,-0.121,0.000,-0.054).
atm(m364,a8,c,c3,4.985,0.670,0.001,-0.104).
atm(m364,a9,c,c3,6.188,-0.262,0.001,-0.103).
atm(m364,a10,c,c3,7.492,0.518,0.002,-0.098).
atm(m364,a11,c,c3,8.689,-0.405,0.003,-0.109).
atm(m364,a12,h,h,1.216,-1.096,-0.001,0.104).
atm(m364,a13,h,h,-0.936,0.137,0.000,0.102).
atm(m364,a14,h,h,-0.947,2.625,0.002,0.103).
atm(m364,a15,h,h,1.206,3.870,0.003,0.101).
atm(m364,a16,h,h,3.352,2.654,0.002,0.110).
atm(m364,a17,h,h,3.664,-0.792,0.883,0.058).
atm(m364,a18,h,h,3.665,-0.791,-0.885,0.058).
atm(m364,a19,h,h,5.030,1.338,-0.883,0.055).
atm(m364,a20,h,h,5.029,1.337,0.886,0.055).
atm(m364,a21,h,h,6.149,-0.933,0.883,0.051).
atm(m364,a22,h,h,6.150,-0.932,-0.882,0.051).
atm(m364,a23,h,h,7.531,1.188,-0.880,0.049).
atm(m364,a24,h,h,7.530,1.188,0.885,0.049).
atm(m364,a25,h,h,9.629,0.161,0.003,0.037).
atm(m364,a26,h,h,8.698,-1.056,0.887,0.038).
atm(m364,a27,h,h,8.699,-1.056,-0.881,0.038).
bond(m364,a1,a2,ar).
bond(m364,a1,a6,ar).
bond(m364,a1,a12,1).
bond(m364,a2,a3,ar).
bond(m364,a2,a13,1).
bond(m364,a3,a4,ar).
bond(m364,a3,a14,1).
bond(m364,a4,a5,ar).
bond(m364,a4,a15,1).
bond(m364,a5,a6,ar).
bond(m364,a5,a16,1).
bond(m364,a6,a7,1).
bond(m364,a7,a8,1).
bond(m364,a7,a17,1).
bond(m364,a7,a18,1).
bond(m364,a8,a9,1).
bond(m364,a8,a19,1).
bond(m364,a8,a20,1).
bond(m364,a9,a10,1).
bond(m364,a9,a21,1).
bond(m364,a9,a22,1).
bond(m364,a10,a11,1).
bond(m364,a10,a23,1).
bond(m364,a10,a24,1).
bond(m364,a11,a25,1).
bond(m364,a11,a26,1).
bond(m364,a11,a27,1).
atm(m365,a1,o,o2,2.126,2.883,-0.303,-0.385).
atm(m365,a2,c,c2,1.917,1.782,0.169,0.384).
atm(m365,a3,o,o3,2.930,0.967,0.572,-0.274).
atm(m365,a4,c,c3,4.327,1.334,0.476,0.135).
atm(m365,a5,c,c3,4.661,2.555,1.336,-0.150).
atm(m365,a6,c,c3,4.768,1.551,-0.973,-0.150).
atm(m365,a7,c,c3,5.037,0.097,1.047,-0.128).
atm(m365,a8,c,c3,0.571,1.142,0.387,-0.122).
atm(m365,a9,h,h,4.282,2.446,2.360,0.050).
atm(m365,a10,h,h,5.749,2.689,1.397,0.050).
atm(m365,a11,h,h,4.467,0.715,-1.618,0.050).
atm(m365,a12,h,h,4.353,2.473,-1.402,0.070).
atm(m365,a13,h,h,5.862,1.633,-1.027,0.049).
atm(m365,a14,h,h,4.741,-0.103,2.086,0.051).
atm(m365,a15,h,h,4.821,-0.806,0.461,0.051).
atm(m365,a16,h,h,6.126,0.244,1.036,0.049).
atm(m365,a17,h,h,0.488,0.200,-0.171,0.067).
atm(m365,a18,h,h,0.410,0.917,1.450,0.067).
atm(m365,a19,h,h,-0.239,1.805,0.056,0.069).
atm(m365,a20,h,h,4.244,3.483,0.923,0.070).
bond(m365,a1,a2,2).
bond(m365,a2,a3,1).
bond(m365,a2,a8,1).
bond(m365,a3,a4,1).
bond(m365,a4,a5,1).
bond(m365,a4,a6,1).
bond(m365,a4,a7,1).
bond(m365,a5,a9,1).
bond(m365,a5,a20,1).
bond(m365,a5,a10,1).
bond(m365,a6,a11,1).
bond(m365,a6,a12,1).
bond(m365,a6,a13,1).
bond(m365,a7,a14,1).
bond(m365,a7,a15,1).
bond(m365,a7,a16,1).
bond(m365,a8,a17,1).
bond(m365,a8,a18,1).
bond(m365,a8,a19,1).
atm(m366,a1,cl,cl,4.853,0.000,0.000,0.073).
atm(m366,a2,c,car,3.393,0.842,0.000,-0.114).
atm(m366,a3,c,car,2.195,0.132,0.000,-0.107).
atm(m366,a4,c,car,0.999,0.844,0.000,-0.114).
atm(m366,a5,cl,cl,-0.462,0.005,0.000,0.073).
atm(m366,a6,c,car,0.991,2.237,0.000,-0.106).
atm(m366,a7,c,car,2.198,2.929,0.000,-0.076).
atm(m366,a8,c,car,3.404,2.235,0.000,-0.106).
atm(m366,a9,h,h,2.194,-0.964,0.000,0.130).
atm(m366,a10,h,h,0.038,2.778,0.000,0.119).
atm(m366,a11,h,h,2.199,4.024,0.000,0.108).
atm(m366,a12,h,h,4.358,2.773,0.000,0.119).
bond(m366,a1,a2,1).
bond(m366,a2,a3,ar).
bond(m366,a2,a8,ar).
bond(m366,a3,a4,ar).
bond(m366,a3,a9,1).
bond(m366,a4,a5,1).
bond(m366,a4,a6,ar).
bond(m366,a6,a7,ar).
bond(m366,a6,a10,1).
bond(m366,a7,a8,ar).
bond(m366,a7,a11,1).
bond(m366,a8,a12,1).
atm(m367,a1,cl,cl,0.000,0.000,0.000,-0.059).
atm(m367,a2,c,c3,1.540,0.889,0.000,-0.036).
atm(m367,a3,c,c2,2.666,-0.073,0.000,-0.174).
atm(m367,a4,c,c2,3.937,0.330,0.002,-0.181).
atm(m367,a5,cl,cl,5.192,-0.790,0.002,0.057).
atm(m367,a6,h,h,1.566,1.542,-0.891,0.071).
atm(m367,a7,h,h,1.566,1.542,0.891,0.071).
atm(m367,a8,h,h,2.408,-1.140,-0.001,0.133).
atm(m367,a9,h,h,4.234,1.385,0.003,0.119).
bond(m367,a1,a2,1).
bond(m367,a2,a3,1).
bond(m367,a2,a6,1).
bond(m367,a2,a7,1).
bond(m367,a3,a4,2).
bond(m367,a3,a8,1).
bond(m367,a4,a5,1).
bond(m367,a4,a9,1).
atm(m368,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m368,a2,c,c3,1.296,0.757,-0.183,-0.097).
atm(m368,a3,c,c3,2.343,0.312,0.828,-0.093).
atm(m368,a4,c,c3,3.638,1.077,0.639,-0.167).
atm(m368,a5,s,s3,4.862,0.510,1.869,-0.048).
atm(m368,a6,c,c3,6.281,1.586,1.467,-0.167).
atm(m368,a7,c,c3,7.436,1.264,2.395,-0.093).
atm(m368,a8,c,c3,8.639,2.144,2.091,-0.097).
atm(m368,a9,c,c3,9.796,1.829,3.012,-0.109).
atm(m368,a10,h,h,0.141,-1.082,-0.128,0.040).
atm(m368,a11,h,h,-0.423,0.157,1.001,0.040).
atm(m368,a12,h,h,-0.754,0.321,-0.729,0.038).
atm(m368,a13,h,h,1.678,0.610,-1.213,0.049).
atm(m368,a14,h,h,1.115,1.846,-0.086,0.049).
atm(m368,a15,h,h,1.959,0.460,1.858,0.067).
atm(m368,a16,h,h,2.524,-0.777,0.729,0.067).
atm(m368,a17,h,h,4.030,0.930,-0.385,0.070).
atm(m368,a18,h,h,3.467,2.165,0.744,0.070).
atm(m368,a19,h,h,6.579,1.446,0.412,0.070).
atm(m368,a20,h,h,5.991,2.650,1.562,0.070).
atm(m368,a21,h,h,7.126,1.399,3.451,0.067).
atm(m368,a22,h,h,7.716,0.195,2.299,0.067).
atm(m368,a23,h,h,8.949,2.011,1.035,0.049).
atm(m368,a24,h,h,8.360,3.213,2.187,0.049).
atm(m368,a25,h,h,10.663,2.464,2.793,0.038).
atm(m368,a26,h,h,9.530,1.988,4.066,0.040).
atm(m368,a27,h,h,10.120,0.784,2.913,0.040).
bond(m368,a1,a2,1).
bond(m368,a1,a10,1).
bond(m368,a1,a11,1).
bond(m368,a1,a12,1).
bond(m368,a2,a3,1).
bond(m368,a2,a13,1).
bond(m368,a2,a14,1).
bond(m368,a3,a4,1).
bond(m368,a3,a15,1).
bond(m368,a3,a16,1).
bond(m368,a4,a5,1).
bond(m368,a4,a17,1).
bond(m368,a4,a18,1).
bond(m368,a5,a6,1).
bond(m368,a6,a7,1).
bond(m368,a6,a19,1).
bond(m368,a6,a20,1).
bond(m368,a7,a8,1).
bond(m368,a7,a21,1).
bond(m368,a7,a22,1).
bond(m368,a8,a9,1).
bond(m368,a8,a23,1).
bond(m368,a8,a24,1).
bond(m368,a9,a25,1).
bond(m368,a9,a26,1).
bond(m368,a9,a27,1).
atm(m369,a1,c,car,2.802,2.424,0.000,0.185).
atm(m369,a2,o,o3,2.122,3.609,0.002,-0.227).
atm(m369,a3,c,car,4.204,2.427,0.002,-0.268).
atm(m369,a4,c,car,4.891,1.208,0.000,0.161).
atm(m369,a5,o,o3,6.261,1.335,0.002,-0.188).
atm(m369,a6,c,c3,7.026,0.153,0.001,0.051).
atm(m369,a7,c,car,4.185,-0.001,-0.004,-0.239).
atm(m369,a8,c,car,2.799,0.023,-0.006,0.025).
atm(m369,a9,c,car,2.068,1.219,-0.004,-0.238).
atm(m369,a10,c,c2,0.578,1.118,-0.006,0.352).
atm(m369,a11,o,o2,0.036,0.023,-0.010,-0.345).
atm(m369,a12,c,c3,-0.273,2.360,-0.003,-0.187).
atm(m369,a13,h,h,2.755,4.318,0.004,0.202).
atm(m369,a14,h,h,4.764,3.372,0.005,0.131).
atm(m369,a15,h,h,8.048,0.540,0.003,0.052).
atm(m369,a16,h,h,6.851,-0.455,0.896,0.032).
atm(m369,a17,h,h,6.853,-0.451,-0.897,0.032).
atm(m369,a18,h,h,4.706,-0.965,-0.005,0.124).
atm(m369,a19,h,h,2.261,-0.935,-0.009,0.123).
atm(m369,a20,h,h,0.322,3.288,0.001,0.089).
atm(m369,a21,h,h,-0.922,2.386,-0.889,0.066).
atm(m369,a22,h,h,-0.925,2.380,0.880,0.066).
bond(m369,a1,a2,1).
bond(m369,a1,a3,ar).
bond(m369,a1,a9,ar).
bond(m369,a2,a13,1).
bond(m369,a3,a4,ar).
bond(m369,a3,a14,1).
bond(m369,a4,a5,1).
bond(m369,a4,a7,ar).
bond(m369,a5,a6,1).
bond(m369,a6,a15,1).
bond(m369,a6,a16,1).
bond(m369,a6,a17,1).
bond(m369,a7,a8,ar).
bond(m369,a7,a18,1).
bond(m369,a8,a9,ar).
bond(m369,a8,a19,1).
bond(m369,a9,a10,1).
bond(m369,a10,a11,2).
bond(m369,a10,a12,1).
bond(m369,a12,a20,1).
bond(m369,a12,a21,1).
bond(m369,a12,a22,1).
atm(m36,a1,c,car,2.795,2.423,0.000,0.130).
atm(m36,a2,o,o3,2.111,3.612,-0.013,-0.244).
atm(m36,a3,c,car,4.196,2.378,-0.006,-0.204).
atm(m36,a4,c,car,4.839,1.147,0.008,-0.036).
atm(m36,a5,c,car,4.098,-0.030,0.022,-0.151).
atm(m36,a6,c,car,2.709,0.016,0.022,-0.008).
atm(m36,a7,c,car,2.034,1.239,0.014,-0.169).
atm(m36,a8,c,c2,0.543,1.235,0.006,0.282).
atm(m36,a9,o,o2,-0.134,0.331,-0.468,-0.379).
atm(m36,a10,n,nam,-0.131,2.295,0.662,-0.017).
atm(m36,a11,h,h,2.746,4.318,-0.020,0.209).
atm(m36,a12,h,h,4.786,3.302,-0.020,0.114).
atm(m36,a13,h,h,5.933,1.106,0.006,0.104).
atm(m36,a14,h,h,4.610,-0.998,0.031,0.112).
atm(m36,a15,h,h,2.129,-0.916,0.022,0.124).
atm(m36,a16,h,h,0.386,3.154,0.649,0.074).
atm(m36,a17,h,h,-1.088,2.406,0.415,0.059).
bond(m36,a1,a2,1).
bond(m36,a1,a3,ar).
bond(m36,a1,a7,ar).
bond(m36,a2,a11,1).
bond(m36,a3,a4,ar).
bond(m36,a3,a12,1).
bond(m36,a4,a5,ar).
bond(m36,a4,a13,1).
bond(m36,a5,a6,ar).
bond(m36,a5,a14,1).
bond(m36,a6,a7,ar).
bond(m36,a6,a15,1).
bond(m36,a7,a8,1).
bond(m36,a8,a9,2).
bond(m36,a8,a10,1).
bond(m36,a10,a16,1).
bond(m36,a10,a17,1).
atm(m370,a1,c,car,2.102,2.425,0.000,-0.102).
atm(m370,a2,c,c2,2.831,3.738,0.000,0.273).
atm(m370,a3,o,o2,2.246,4.796,0.000,-0.295).
atm(m370,a4,c,car,2.783,1.191,0.000,-0.368).
atm(m370,a5,n,n4,4.281,1.091,0.000,1.303).
atm(m370,a6,o,oco2,4.963,2.102,0.000,-0.607).
atm(m370,a7,o,oco2,4.806,-0.003,-0.001,-0.583).
atm(m370,a8,c,car,2.049,-0.001,-0.001,-0.028).
atm(m370,a9,c,car,0.659,0.024,-0.001,-0.101).
atm(m370,a10,c,car,-0.014,1.238,0.000,-0.052).
atm(m370,a11,c,car,0.707,2.428,0.000,-0.071).
atm(m370,a12,h,h,3.943,3.678,0.000,0.130).
atm(m370,a13,h,h,2.559,-0.976,-0.001,0.137).
atm(m370,a14,h,h,0.099,-0.918,-0.001,0.117).
atm(m370,a15,h,h,-1.110,1.262,0.000,0.113).
atm(m370,a16,h,h,0.170,3.386,0.000,0.133).
bond(m370,a1,a2,1).
bond(m370,a1,a4,ar).
bond(m370,a1,a11,ar).
bond(m370,a2,a3,2).
bond(m370,a2,a12,1).
bond(m370,a4,a5,1).
bond(m370,a4,a8,ar).
bond(m370,a5,a6,2).
bond(m370,a5,a7,1).
bond(m370,a8,a9,ar).
bond(m370,a8,a13,1).
bond(m370,a9,a10,ar).
bond(m370,a9,a14,1).
bond(m370,a10,a11,ar).
bond(m370,a10,a15,1).
bond(m370,a11,a16,1).
atm(m371,a1,o,o2,7.006,2.424,0.000,-0.294).
atm(m371,a2,c,c2,6.402,1.378,0.000,0.318).
atm(m371,a3,c,car,4.913,1.292,0.000,-0.143).
atm(m371,a4,c,car,4.313,0.032,0.001,-0.081).
atm(m371,a5,c,car,2.930,-0.087,0.000,-0.025).
atm(m371,a6,c,car,2.132,1.063,-0.001,-0.383).
atm(m371,a7,n,n4,0.636,0.939,-0.001,1.302).
atm(m371,a8,o,oco2,0.131,-0.166,-0.001,-0.595).
atm(m371,a9,o,oco2,-0.045,1.944,-0.002,-0.593).
atm(m371,a10,c,car,2.731,2.326,-0.001,-0.023).
atm(m371,a11,c,car,4.117,2.437,-0.001,-0.061).
atm(m371,a12,h,h,6.945,0.418,0.001,0.055).
atm(m371,a13,h,h,4.935,-0.872,0.001,0.116).
atm(m371,a14,h,h,2.474,-1.088,0.001,0.137).
atm(m371,a15,h,h,2.118,3.240,-0.002,0.138).
atm(m371,a16,h,h,4.587,3.430,-0.002,0.132).
bond(m371,a1,a2,2).
bond(m371,a2,a3,1).
bond(m371,a2,a12,1).
bond(m371,a3,a4,ar).
bond(m371,a3,a11,ar).
bond(m371,a4,a5,ar).
bond(m371,a4,a13,1).
bond(m371,a5,a6,ar).
bond(m371,a5,a14,1).
bond(m371,a6,a7,1).
bond(m371,a6,a10,ar).
bond(m371,a7,a8,2).
bond(m371,a7,a9,1).
bond(m371,a10,a11,ar).
bond(m371,a10,a15,1).
bond(m371,a11,a16,1).
atm(m372,a1,c,c3,3.498,2.425,0.000,-0.180).
atm(m372,a2,c,c2,1.991,2.403,0.003,0.275).
atm(m372,a3,o,o2,1.332,3.416,0.125,-0.308).
atm(m372,a4,c,c3,1.378,1.015,-0.159,-0.125).
atm(m372,a5,c,c3,1.759,0.158,1.039,-0.111).
atm(m372,a6,c,c3,-0.128,1.041,-0.340,-0.102).
atm(m372,a7,h,h,3.913,3.363,0.389,0.069).
atm(m372,a8,h,h,3.884,1.595,0.615,0.065).
atm(m372,a9,h,h,3.877,2.290,-1.021,0.064).
atm(m372,a10,h,h,1.839,0.575,-1.078,0.074).
atm(m372,a11,h,h,2.846,0.210,1.223,0.045).
atm(m372,a12,h,h,1.251,0.489,1.954,0.049).
atm(m372,a13,h,h,1.493,-0.894,0.876,0.046).
atm(m372,a14,h,h,-0.636,1.475,0.531,0.052).
atm(m372,a15,h,h,-0.522,0.026,-0.481,0.039).
atm(m372,a16,h,h,-0.416,1.635,-1.217,0.048).
bond(m372,a1,a2,1).
bond(m372,a1,a7,1).
bond(m372,a1,a8,1).
bond(m372,a1,a9,1).
bond(m372,a2,a3,2).
bond(m372,a2,a4,1).
bond(m372,a4,a5,1).
bond(m372,a4,a6,1).
bond(m372,a4,a10,1).
bond(m372,a5,a11,1).
bond(m372,a5,a12,1).
bond(m372,a5,a13,1).
bond(m372,a6,a14,1).
bond(m372,a6,a15,1).
bond(m372,a6,a16,1).
atm(m373,a1,o,o3,3.641,0.000,0.000,-0.202).
atm(m373,a2,c,car,3.562,1.333,0.000,0.330).
atm(m373,a3,c,car,2.258,1.901,0.000,-0.500).
atm(m373,a4,n,n4,1.007,1.066,0.000,1.324).
atm(m373,a5,o,oco2,-0.065,1.645,0.000,-0.612).
atm(m373,a6,o,oco2,1.064,-0.141,0.000,-0.567).
atm(m373,a7,c,car,2.126,3.293,0.000,0.097).
atm(m373,a8,c,car,3.244,4.120,0.000,-0.202).
atm(m373,a9,c,car,4.518,3.580,0.000,0.094).
atm(m373,a10,c,car,4.698,2.189,0.000,-0.568).
atm(m373,a11,n,n4,6.075,1.636,0.000,1.334).
atm(m373,a12,o,oco2,7.040,2.364,0.000,-0.564).
atm(m373,a13,o,oco2,6.198,0.415,0.000,-0.634).
atm(m373,a14,h,h,4.558,-0.296,0.000,0.269).
atm(m373,a15,h,h,1.127,3.758,0.000,0.138).
atm(m373,a16,h,h,3.113,5.209,-0.001,0.131).
atm(m373,a17,h,h,5.389,4.252,0.000,0.133).
bond(m373,a1,a2,1).
bond(m373,a1,a14,1).
bond(m373,a2,a3,ar).
bond(m373,a2,a10,ar).
bond(m373,a3,a4,1).
bond(m373,a3,a7,ar).
bond(m373,a4,a5,2).
bond(m373,a4,a6,1).
bond(m373,a7,a8,ar).
bond(m373,a7,a15,1).
bond(m373,a8,a9,ar).
bond(m373,a8,a16,1).
bond(m373,a9,a10,ar).
bond(m373,a9,a17,1).
bond(m373,a10,a11,1).
bond(m373,a11,a12,2).
bond(m373,a11,a13,1).
atm(m374,a1,br,br,0.000,1.215,0.000,0.044).
atm(m374,a2,c,car,1.861,1.214,0.000,-0.117).
atm(m374,a3,c,car,2.396,2.484,0.000,-0.117).
atm(m374,a4,br,br,1.094,3.815,0.000,0.044).
atm(m374,a5,c,car,3.755,2.701,0.000,-0.066).
atm(m374,a6,c,car,4.582,1.572,0.000,-0.093).
atm(m374,a7,c,car,4.041,0.288,0.000,-0.093).
atm(m374,a8,c,car,2.656,0.090,0.000,-0.066).
atm(m374,a9,h,h,4.167,3.714,0.000,0.124).
atm(m374,a10,h,h,5.669,1.702,0.000,0.108).
atm(m374,a11,h,h,4.708,-0.581,0.000,0.108).
atm(m374,a12,h,h,2.219,-0.913,0.000,0.124).
bond(m374,a1,a2,1).
bond(m374,a2,a3,ar).
bond(m374,a2,a8,ar).
bond(m374,a3,a4,1).
bond(m374,a3,a5,ar).
bond(m374,a5,a6,ar).
bond(m374,a5,a9,1).
bond(m374,a6,a7,ar).
bond(m374,a6,a10,1).
bond(m374,a7,a8,ar).
bond(m374,a7,a11,1).
bond(m374,a8,a12,1).
atm(m375,a1,c,c2,0.000,0.698,0.000,-0.158).
atm(m375,a2,c,c2,1.150,0.034,-0.019,-0.144).
atm(m375,a3,c,c3,2.473,0.724,-0.001,-0.071).
atm(m375,a4,n,npl3,3.386,0.033,0.946,0.037).
atm(m375,a5,c,car,4.780,0.367,0.848,-0.060).
atm(m375,a6,c,car,5.359,0.670,-0.392,-0.149).
atm(m375,a7,c,car,6.727,0.885,-0.485,-0.070).
atm(m375,a8,c,car,7.530,0.802,0.648,-0.136).
atm(m375,a9,c,car,6.959,0.502,1.880,-0.072).
atm(m375,a10,c,car,5.591,0.287,1.989,-0.148).
atm(m375,a11,h,h,-0.065,1.782,0.050,0.081).
atm(m375,a12,h,h,-0.963,0.198,-0.037,0.082).
atm(m375,a13,h,h,1.172,-1.062,-0.067,0.111).
atm(m375,a14,h,h,2.929,0.677,-1.018,0.073).
atm(m375,a15,h,h,2.365,1.804,0.237,0.044).
atm(m375,a16,h,h,3.056,0.111,1.883,0.054).
atm(m375,a17,h,h,4.722,0.735,-1.288,0.115).
atm(m375,a18,h,h,7.175,1.120,-1.456,0.100).
atm(m375,a19,h,h,8.608,0.971,0.570,0.104).
atm(m375,a20,h,h,7.590,0.436,2.772,0.100).
atm(m375,a21,h,h,5.159,0.052,2.969,0.109).
bond(m375,a1,a2,2).
bond(m375,a1,a11,1).
bond(m375,a1,a12,1).
bond(m375,a2,a3,1).
bond(m375,a2,a13,1).
bond(m375,a3,a4,1).
bond(m375,a3,a14,1).
bond(m375,a3,a15,1).
bond(m375,a4,a5,1).
bond(m375,a4,a16,1).
bond(m375,a5,a6,ar).
bond(m375,a5,a10,ar).
bond(m375,a6,a7,ar).
bond(m375,a6,a17,1).
bond(m375,a7,a8,ar).
bond(m375,a7,a18,1).
bond(m375,a8,a9,ar).
bond(m375,a8,a19,1).
bond(m375,a9,a10,ar).
bond(m375,a9,a20,1).
bond(m375,a10,a21,1).
atm(m376,a1,n,npl3,6.288,1.207,0.000,0.071).
atm(m376,a2,c,car,4.866,1.192,-0.149,-0.086).
atm(m376,a3,c,car,4.175,-0.027,-0.181,-0.142).
atm(m376,a4,c,car,2.810,-0.043,-0.431,-0.073).
atm(m376,a5,c,car,2.114,1.146,-0.651,-0.110).
atm(m376,a6,c,c3,0.651,1.117,-0.958,-0.044).
atm(m376,a7,c,c3,-0.104,2.272,-0.334,-0.115).
atm(m376,a8,c,car,2.805,2.358,-0.609,-0.080).
atm(m376,a9,c,car,4.169,2.391,-0.360,-0.138).
atm(m376,a10,h,h,6.604,2.061,0.404,0.029).
atm(m376,a11,h,h,6.609,0.424,0.525,0.029).
atm(m376,a12,h,h,4.704,-0.972,-0.012,0.108).
atm(m376,a13,h,h,2.276,-1.001,-0.457,0.103).
atm(m376,a14,h,h,0.532,1.138,-2.061,0.054).
atm(m376,a15,h,h,0.209,0.156,-0.628,0.052).
atm(m376,a16,h,h,0.396,3.231,-0.551,0.044).
atm(m376,a17,h,h,-1.130,2.332,-0.715,0.039).
atm(m376,a18,h,h,-0.161,2.177,0.758,0.041).
atm(m376,a19,h,h,2.239,3.289,-0.765,0.110).
atm(m376,a20,h,h,4.690,3.354,-0.333,0.108).
bond(m376,a1,a2,1).
bond(m376,a1,a10,1).
bond(m376,a1,a11,1).
bond(m376,a2,a3,ar).
bond(m376,a2,a9,ar).
bond(m376,a3,a4,ar).
bond(m376,a3,a12,1).
bond(m376,a4,a5,ar).
bond(m376,a4,a13,1).
bond(m376,a5,a6,1).
bond(m376,a5,a8,ar).
bond(m376,a6,a7,1).
bond(m376,a6,a14,1).
bond(m376,a6,a15,1).
bond(m376,a7,a16,1).
bond(m376,a7,a17,1).
bond(m376,a7,a18,1).
bond(m376,a8,a9,ar).
bond(m376,a8,a19,1).
bond(m376,a9,a20,1).
atm(m377,a1,c,c3,3.639,2.101,0.000,-0.123).
atm(m377,a2,c,c3,3.648,0.581,-0.029,-0.066).
atm(m377,a3,c,c3,4.345,0.029,1.203,-0.112).
atm(m377,a4,c,c3,2.226,0.028,-0.122,-0.189).
atm(m377,a5,c,c2,1.547,0.475,-1.393,0.271).
atm(m377,a6,o,o2,0.758,-0.210,-2.002,-0.314).
atm(m377,a7,h,h,4.656,2.509,-0.052,0.046).
atm(m377,a8,h,h,3.069,2.500,-0.855,0.043).
atm(m377,a9,h,h,3.174,2.488,0.916,0.044).
atm(m377,a10,h,h,4.212,0.247,-0.934,0.064).
atm(m377,a11,h,h,5.371,0.412,1.281,0.043).
atm(m377,a12,h,h,3.819,0.310,2.125,0.042).
atm(m377,a13,h,h,4.401,-1.067,1.177,0.043).
atm(m377,a14,h,h,2.243,-1.077,-0.038,0.081).
atm(m377,a15,h,h,1.620,0.384,0.736,0.077).
atm(m377,a16,h,h,1.810,1.494,-1.744,0.052).
bond(m377,a1,a2,1).
bond(m377,a1,a7,1).
bond(m377,a1,a8,1).
bond(m377,a1,a9,1).
bond(m377,a2,a3,1).
bond(m377,a2,a4,1).
bond(m377,a2,a10,1).
bond(m377,a3,a11,1).
bond(m377,a3,a12,1).
bond(m377,a3,a13,1).
bond(m377,a4,a5,1).
bond(m377,a4,a14,1).
bond(m377,a4,a15,1).
bond(m377,a5,a6,2).
bond(m377,a5,a16,1).
atm(m378,a1,c,c3,0.000,0.698,0.000,-0.111).
atm(m378,a2,c,c3,1.314,-0.060,0.000,-0.096).
atm(m378,a3,c,c3,2.513,0.877,-0.001,-0.095).
atm(m378,a4,c,c3,3.816,0.097,-0.001,-0.153).
atm(m378,a5,c,c2,5.059,0.959,-0.002,0.275).
atm(m378,a6,o,o2,5.037,2.174,-0.002,-0.312).
atm(m378,a7,c,c3,6.355,0.189,-0.002,-0.173).
atm(m378,a8,h,h,0.144,1.787,0.000,0.045).
atm(m378,a9,h,h,-0.607,0.458,-0.882,0.037).
atm(m378,a10,h,h,-0.608,0.457,0.882,0.037).
atm(m378,a11,h,h,1.369,-0.732,0.880,0.045).
atm(m378,a12,h,h,1.368,-0.732,-0.880,0.045).
atm(m378,a13,h,h,2.472,1.546,-0.883,0.063).
atm(m378,a14,h,h,2.473,1.547,0.881,0.063).
atm(m378,a15,h,h,3.860,-0.572,0.883,0.070).
atm(m378,a16,h,h,3.860,-0.572,-0.885,0.070).
atm(m378,a17,h,h,7.237,0.842,-0.003,0.068).
atm(m378,a18,h,h,6.419,-0.456,0.884,0.060).
atm(m378,a19,h,h,6.418,-0.456,-0.889,0.060).
bond(m378,a1,a2,1).
bond(m378,a1,a8,1).
bond(m378,a1,a9,1).
bond(m378,a1,a10,1).
bond(m378,a2,a3,1).
bond(m378,a2,a11,1).
bond(m378,a2,a12,1).
bond(m378,a3,a4,1).
bond(m378,a3,a13,1).
bond(m378,a3,a14,1).
bond(m378,a4,a5,1).
bond(m378,a4,a15,1).
bond(m378,a4,a16,1).
bond(m378,a5,a6,2).
bond(m378,a5,a7,1).
bond(m378,a7,a17,1).
bond(m378,a7,a18,1).
bond(m378,a7,a19,1).
atm(m379,a1,c,c3,0.000,0.000,0.000,-0.075).
atm(m379,a2,c,c2,1.269,0.759,0.000,-0.136).
atm(m379,a3,c,c2,2.470,0.169,0.000,-0.118).
atm(m379,a4,c,c2,3.704,0.937,0.000,-0.121).
atm(m379,a5,c,c2,4.907,0.349,0.000,-0.135).
atm(m379,a6,c,c3,6.166,1.128,0.000,-0.076).
atm(m379,a7,h,h,0.150,-1.088,0.000,0.042).
atm(m379,a8,h,h,-0.599,0.252,0.886,0.045).
atm(m379,a9,h,h,-0.599,0.252,-0.886,0.045).
atm(m379,a10,h,h,1.177,1.852,0.000,0.098).
atm(m379,a11,h,h,2.562,-0.925,0.000,0.102).
atm(m379,a12,h,h,3.616,2.031,0.000,0.101).
atm(m379,a13,h,h,4.998,-0.744,0.000,0.099).
atm(m379,a14,h,h,7.048,0.475,0.000,0.039).
atm(m379,a15,h,h,6.235,1.774,-0.885,0.046).
atm(m379,a16,h,h,6.235,1.775,0.885,0.046).
bond(m379,a1,a2,1).
bond(m379,a1,a7,1).
bond(m379,a1,a8,1).
bond(m379,a1,a9,1).
bond(m379,a2,a3,2).
bond(m379,a2,a10,1).
bond(m379,a3,a4,1).
bond(m379,a3,a11,1).
bond(m379,a4,a5,2).
bond(m379,a4,a12,1).
bond(m379,a5,a6,1).
bond(m379,a5,a13,1).
bond(m379,a6,a14,1).
bond(m379,a6,a15,1).
bond(m379,a6,a16,1).
atm(m37,a1,n,nam,2.426,0.000,0.000,-0.012).
atm(m37,a2,c,c2,1.208,0.723,0.055,0.206).
atm(m37,a3,o,o2,0.129,0.156,0.175,-0.384).
atm(m37,a4,n,nam,1.259,2.147,-0.068,0.089).
atm(m37,a5,c,c2,2.495,2.817,-0.064,-0.069).
atm(m37,a6,c,c2,3.660,2.139,-0.100,-0.270).
atm(m37,a7,c,c2,3.688,0.673,-0.088,0.297).
atm(m37,a8,o,o2,4.677,-0.040,-0.138,-0.350).
atm(m37,a9,h,h,2.387,-0.997,0.039,0.122).
atm(m37,a10,h,h,0.433,2.664,0.132,0.102).
atm(m37,a11,h,h,2.452,3.915,-0.068,0.124).
atm(m37,a12,h,h,4.623,2.660,-0.140,0.145).
bond(m37,a1,a2,1).
bond(m37,a1,a7,1).
bond(m37,a1,a9,1).
bond(m37,a2,a3,2).
bond(m37,a2,a4,1).
bond(m37,a4,a5,1).
bond(m37,a4,a10,1).
bond(m37,a5,a6,2).
bond(m37,a5,a11,1).
bond(m37,a6,a7,1).
bond(m37,a6,a12,1).
bond(m37,a7,a8,2).
atm(m380,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m380,a2,c,c3,1.290,0.761,-0.207,-0.098).
atm(m380,a3,c,c3,2.344,0.359,0.812,-0.103).
atm(m380,a4,c,c3,3.639,1.126,0.602,-0.102).
atm(m380,a5,c,c3,4.692,0.721,1.621,-0.102).
atm(m380,a6,c,c3,5.987,1.490,1.413,-0.102).
atm(m380,a7,c,c3,7.041,1.084,2.431,-0.102).
atm(m380,a8,c,c3,8.335,1.854,2.222,-0.102).
atm(m380,a9,c,c3,9.389,1.448,3.239,-0.101).
atm(m380,a10,c,c3,10.682,2.220,3.028,-0.095).
atm(m380,a11,c,c3,11.733,1.811,4.045,-0.152).
atm(m380,a12,c,c2,13.054,2.535,3.904,0.275).
atm(m380,a13,o,o2,13.269,3.388,3.065,-0.312).
atm(m380,a14,c,c3,14.107,2.118,4.898,-0.173).
atm(m380,a15,h,h,0.149,-1.084,-0.096,0.038).
atm(m380,a16,h,h,-0.423,0.183,0.997,0.038).
atm(m380,a17,h,h,-0.758,0.293,-0.737,0.037).
atm(m380,a18,h,h,1.671,0.587,-1.233,0.049).
atm(m380,a19,h,h,1.100,1.851,-0.142,0.049).
atm(m380,a20,h,h,1.962,0.532,1.838,0.051).
atm(m380,a21,h,h,2.534,-0.732,0.747,0.051).
atm(m380,a22,h,h,4.020,0.952,-0.425,0.051).
atm(m380,a23,h,h,3.448,2.216,0.667,0.051).
atm(m380,a24,h,h,4.311,0.894,2.648,0.051).
atm(m380,a25,h,h,4.884,-0.369,1.555,0.051).
atm(m380,a26,h,h,6.368,1.319,0.385,0.052).
atm(m380,a27,h,h,5.796,2.580,1.480,0.052).
atm(m380,a28,h,h,6.660,1.255,3.458,0.050).
atm(m380,a29,h,h,7.233,-0.005,2.363,0.050).
atm(m380,a30,h,h,8.715,1.684,1.194,0.053).
atm(m380,a31,h,h,8.143,2.944,2.291,0.053).
atm(m380,a32,h,h,9.009,1.617,4.267,0.049).
atm(m380,a33,h,h,9.582,0.358,3.170,0.049).
atm(m380,a34,h,h,11.063,2.052,2.001,0.063).
atm(m380,a35,h,h,10.490,3.309,3.098,0.064).
atm(m380,a36,h,h,11.355,1.981,5.074,0.070).
atm(m380,a37,h,h,11.927,0.721,3.974,0.070).
atm(m380,a38,h,h,15.048,2.670,4.778,0.068).
atm(m380,a39,h,h,13.753,2.282,5.925,0.060).
atm(m380,a40,h,h,14.332,1.048,4.792,0.061).
bond(m380,a1,a2,1).
bond(m380,a1,a15,1).
bond(m380,a1,a16,1).
bond(m380,a1,a17,1).
bond(m380,a2,a3,1).
bond(m380,a2,a18,1).
bond(m380,a2,a19,1).
bond(m380,a3,a4,1).
bond(m380,a3,a20,1).
bond(m380,a3,a21,1).
bond(m380,a4,a5,1).
bond(m380,a4,a22,1).
bond(m380,a4,a23,1).
bond(m380,a5,a6,1).
bond(m380,a5,a24,1).
bond(m380,a5,a25,1).
bond(m380,a6,a7,1).
bond(m380,a6,a26,1).
bond(m380,a6,a27,1).
bond(m380,a7,a8,1).
bond(m380,a7,a28,1).
bond(m380,a7,a29,1).
bond(m380,a8,a9,1).
bond(m380,a8,a30,1).
bond(m380,a8,a31,1).
bond(m380,a9,a10,1).
bond(m380,a9,a32,1).
bond(m380,a9,a33,1).
bond(m380,a10,a11,1).
bond(m380,a10,a34,1).
bond(m380,a10,a35,1).
bond(m380,a11,a12,1).
bond(m380,a11,a36,1).
bond(m380,a11,a37,1).
bond(m380,a12,a13,2).
bond(m380,a12,a14,1).
bond(m380,a14,a38,1).
bond(m380,a14,a39,1).
bond(m380,a14,a40,1).
atm(m381,a1,c,car,5.178,1.163,-0.013,-0.043).
atm(m381,a2,c,car,5.023,-0.221,-0.013,-0.120).
atm(m381,a3,c,car,3.747,-0.774,-0.011,-0.079).
atm(m381,a4,c,car,2.631,0.056,-0.008,-0.119).
atm(m381,a5,c,car,2.796,1.438,-0.007,-0.048).
atm(m381,a6,c,car,4.068,1.997,-0.012,-0.435).
atm(m381,a7,c,c3,4.294,4.068,-0.026,1.344).
atm(m381,a8,c,car,5.333,4.651,1.682,-0.435).
atm(m381,a9,c,car,4.743,5.520,2.591,-0.049).
atm(m381,a10,c,car,5.429,5.923,3.733,-0.119).
atm(m381,a11,c,car,6.716,5.450,3.970,-0.079).
atm(m381,a12,c,car,7.311,4.575,3.066,-0.120).
atm(m381,a13,c,car,6.616,4.179,1.927,-0.043).
atm(m381,a14,c,car,5.429,4.591,-1.697,-0.426).
atm(m381,a15,c,car,4.963,5.436,-2.694,-0.051).
atm(m381,a16,c,car,5.760,5.750,-3.791,-0.118).
atm(m381,a17,c,car,7.039,5.214,-3.895,-0.078).
atm(m381,a18,c,car,7.515,4.366,-2.900,-0.117).
atm(m381,a19,c,car,6.709,4.060,-1.808,-0.049).
atm(m381,a20,c,car,2.389,4.918,0.057,-0.433).
atm(m381,a21,c,car,1.881,5.762,-0.921,-0.050).
atm(m381,a22,c,car,0.598,6.294,-0.806,-0.118).
atm(m381,a23,c,car,-0.186,5.978,0.298,-0.079).
atm(m381,a24,c,car,0.314,5.132,1.283,-0.118).
atm(m381,a25,c,car,1.597,4.608,1.158,-0.056).
atm(m381,a26,h,h,6.188,1.594,-0.013,0.095).
atm(m381,a27,h,h,5.903,-0.872,-0.013,0.103).
atm(m381,a28,h,h,3.621,-1.862,-0.013,0.100).
atm(m381,a29,h,h,1.625,-0.377,-0.006,0.103).
atm(m381,a30,h,h,1.914,2.093,0.003,0.106).
atm(m381,a31,h,h,3.723,5.887,2.409,0.106).
atm(m381,a32,h,h,4.958,6.610,4.443,0.103).
atm(m381,a33,h,h,7.259,5.765,4.867,0.100).
atm(m381,a34,h,h,8.322,4.200,3.251,0.103).
atm(m381,a35,h,h,7.091,3.488,1.217,0.095).
atm(m381,a36,h,h,3.953,5.867,-2.625,0.102).
atm(m381,a37,h,h,5.381,6.418,-4.572,0.103).
atm(m381,a38,h,h,7.669,5.458,-4.756,0.101).
atm(m381,a39,h,h,8.521,3.941,-2.977,0.103).
atm(m381,a40,h,h,7.095,3.389,-1.028,0.096).
atm(m381,a41,h,h,2.491,6.020,-1.799,0.104).
atm(m381,a42,h,h,0.209,6.958,-1.583,0.104).
atm(m381,a43,h,h,-1.195,6.393,0.392,0.102).
atm(m381,a44,h,h,-0.300,4.880,2.153,0.105).
atm(m381,a45,h,h,1.984,3.941,1.940,0.104).
bond(m381,a1,a2,ar).
bond(m381,a1,a6,ar).
bond(m381,a1,a26,1).
bond(m381,a2,a3,ar).
bond(m381,a2,a27,1).
bond(m381,a3,a4,ar).
bond(m381,a3,a28,1).
bond(m381,a4,a5,ar).
bond(m381,a4,a29,1).
bond(m381,a5,a6,ar).
bond(m381,a5,a30,1).
bond(m381,a6,a7,1).
bond(m381,a7,a8,1).
bond(m381,a7,a14,1).
bond(m381,a7,a20,1).
bond(m381,a8,a9,ar).
bond(m381,a8,a13,ar).
bond(m381,a9,a10,ar).
bond(m381,a9,a31,1).
bond(m381,a10,a11,ar).
bond(m381,a10,a32,1).
bond(m381,a11,a12,ar).
bond(m381,a11,a33,1).
bond(m381,a12,a13,ar).
bond(m381,a12,a34,1).
bond(m381,a13,a35,1).
bond(m381,a14,a15,ar).
bond(m381,a14,a19,ar).
bond(m381,a15,a16,ar).
bond(m381,a15,a36,1).
bond(m381,a16,a17,ar).
bond(m381,a16,a37,1).
bond(m381,a17,a18,ar).
bond(m381,a17,a38,1).
bond(m381,a18,a19,ar).
bond(m381,a18,a39,1).
bond(m381,a19,a40,1).
bond(m381,a20,a21,ar).
bond(m381,a20,a25,ar).
bond(m381,a21,a22,ar).
bond(m381,a21,a41,1).
bond(m381,a22,a23,ar).
bond(m381,a22,a42,1).
bond(m381,a23,a24,ar).
bond(m381,a23,a43,1).
bond(m381,a24,a25,ar).
bond(m381,a24,a44,1).
bond(m381,a25,a45,1).
atm(m382,a1,c,c2,1.212,0.000,0.000,-0.140).
atm(m382,a2,c,c2,2.165,0.774,-0.504,-0.183).
atm(m382,a3,c,c3,2.158,2.287,-0.463,0.139).
atm(m382,a4,o,o3,1.210,2.800,0.464,-0.308).
atm(m382,a5,c,c3,1.727,2.807,-1.840,-0.115).
atm(m382,a6,c,c3,3.581,2.804,-0.134,-0.146).
atm(m382,a7,c,c3,4.065,2.331,1.228,-0.112).
atm(m382,a8,c,c3,5.381,2.997,1.641,-0.040).
atm(m382,a9,c,c2,5.116,4.414,2.077,-0.102).
atm(m382,a10,c,c2,5.238,5.435,1.227,-0.177).
atm(m382,a11,c,c3,4.709,4.630,3.497,-0.053).
atm(m382,a12,c,c3,5.622,3.888,4.467,-0.111).
atm(m382,a13,c,c3,6.767,3.188,3.738,-0.073).
atm(m382,a14,c,c3,7.823,2.620,4.727,-0.029).
atm(m382,a15,c,c3,7.218,1.907,5.938,-0.131).
atm(m382,a16,c,c3,8.631,3.814,5.250,-0.124).
atm(m382,a17,c,c3,8.762,1.632,4.007,-0.100).
atm(m382,a18,c,c3,8.730,1.795,2.501,-0.095).
atm(m382,a19,c,c3,7.351,1.474,1.952,-0.107).
atm(m382,a20,c,c3,6.200,2.185,2.707,-0.018).
atm(m382,a21,c,c3,5.341,1.135,3.410,-0.144).
atm(m382,a22,h,h,1.249,-1.083,-0.067,0.077).
atm(m382,a23,h,h,0.331,0.385,0.507,0.091).
atm(m382,a24,h,h,3.030,0.338,-1.019,0.102).
atm(m382,a25,h,h,1.576,2.635,1.327,0.193).
atm(m382,a26,h,h,2.396,2.430,-2.624,0.043).
atm(m382,a27,h,h,0.707,2.485,-2.088,0.054).
atm(m382,a28,h,h,1.746,3.904,-1.880,0.050).
atm(m382,a29,h,h,4.282,2.473,-0.926,0.061).
atm(m382,a30,h,h,3.586,3.914,-0.171,0.074).
atm(m382,a31,h,h,3.279,2.525,1.993,0.053).
atm(m382,a32,h,h,4.194,1.224,1.213,0.069).
atm(m382,a33,h,h,6.034,3.036,0.724,0.074).
atm(m382,a34,h,h,5.049,6.466,1.515,0.086).
atm(m382,a35,h,h,5.536,5.311,0.190,0.085).
atm(m382,a36,h,h,3.661,4.285,3.615,0.054).
atm(m382,a37,h,h,4.692,5.712,3.736,0.054).
atm(m382,a38,h,h,5.026,3.134,5.027,0.061).
atm(m382,a39,h,h,6.053,4.579,5.223,0.061).
atm(m382,a40,h,h,7.308,3.969,3.138,0.077).
atm(m382,a41,h,h,6.650,2.595,6.580,0.045).
atm(m382,a42,h,h,6.537,1.096,5.634,0.054).
atm(m382,a43,h,h,8.005,1.460,6.561,0.043).
atm(m382,a44,h,h,9.306,3.523,6.065,0.043).
atm(m382,a45,h,h,9.244,4.267,4.459,0.044).
atm(m382,a46,h,h,7.950,4.591,5.635,0.046).
atm(m382,a47,h,h,8.483,0.587,4.258,0.054).
atm(m382,a48,h,h,9.798,1.756,4.381,0.053).
atm(m382,a49,h,h,9.480,1.128,2.032,0.048).
atm(m382,a50,h,h,9.034,2.824,2.221,0.054).
atm(m382,a51,h,h,7.195,0.376,1.970,0.054).
atm(m382,a52,h,h,7.313,1.759,0.877,0.054).
atm(m382,a53,h,h,5.947,0.517,4.093,0.058).
atm(m382,a54,h,h,4.559,1.616,4.021,0.052).
atm(m382,a55,h,h,4.849,0.461,2.692,0.051).
bond(m382,a1,a2,2).
bond(m382,a1,a22,1).
bond(m382,a1,a23,1).
bond(m382,a2,a3,1).
bond(m382,a2,a24,1).
bond(m382,a3,a4,1).
bond(m382,a3,a5,1).
bond(m382,a3,a6,1).
bond(m382,a4,a25,1).
bond(m382,a5,a26,1).
bond(m382,a5,a27,1).
bond(m382,a5,a28,1).
bond(m382,a6,a7,1).
bond(m382,a6,a29,1).
bond(m382,a6,a30,1).
bond(m382,a7,a8,1).
bond(m382,a7,a31,1).
bond(m382,a7,a32,1).
bond(m382,a8,a9,1).
bond(m382,a8,a20,1).
bond(m382,a8,a33,1).
bond(m382,a9,a10,2).
bond(m382,a9,a11,1).
bond(m382,a10,a34,1).
bond(m382,a10,a35,1).
bond(m382,a11,a12,1).
bond(m382,a11,a36,1).
bond(m382,a11,a37,1).
bond(m382,a12,a13,1).
bond(m382,a12,a38,1).
bond(m382,a12,a39,1).
bond(m382,a13,a14,1).
bond(m382,a13,a20,1).
bond(m382,a13,a40,1).
bond(m382,a14,a15,1).
bond(m382,a14,a16,1).
bond(m382,a14,a17,1).
bond(m382,a15,a41,1).
bond(m382,a15,a42,1).
bond(m382,a15,a43,1).
bond(m382,a16,a44,1).
bond(m382,a16,a45,1).
bond(m382,a16,a46,1).
bond(m382,a17,a18,1).
bond(m382,a17,a47,1).
bond(m382,a17,a48,1).
bond(m382,a18,a19,1).
bond(m382,a18,a49,1).
bond(m382,a18,a50,1).
bond(m382,a19,a20,1).
bond(m382,a19,a51,1).
bond(m382,a19,a52,1).
bond(m382,a20,a21,1).
bond(m382,a21,a53,1).
bond(m382,a21,a54,1).
bond(m382,a21,a55,1).
atm(m383,a1,c,c3,3.078,0.121,-1.981,-0.122).
atm(m383,a2,c,c3,1.852,0.959,-1.810,-0.213).
atm(m383,a3,c,c3,2.024,2.146,0.021,0.267).
atm(m383,a4,c,c3,2.293,0.802,1.728,-0.213).
atm(m383,a5,c,c3,3.513,-0.036,1.519,-0.122).
atm(m383,a6,c,c3,3.775,3.446,-0.139,-0.212).
atm(m383,a7,c,c3,4.994,2.601,-0.329,-0.123).
atm(m383,a8,c,c3,0.197,3.308,0.300,-0.216).
atm(m383,a9,c,c3,-0.966,2.375,0.412,-0.100).
atm(m383,a10,h,h,3.990,0.741,-2.049,0.050).
atm(m383,a11,h,h,3.222,-0.571,-1.132,0.051).
atm(m383,a12,h,h,3.031,-0.489,-2.894,0.040).
atm(m383,a13,h,h,1.708,1.660,-2.644,0.063).
atm(m383,a14,h,h,0.938,0.354,-1.723,0.064).
atm(m383,a15,h,h,2.365,1.425,2.629,0.063).
atm(m383,a16,h,h,1.379,0.198,1.815,0.064).
atm(m383,a17,h,h,3.437,-0.648,0.603,0.051).
atm(m383,a18,h,h,4.421,0.586,1.415,0.050).
atm(m383,a19,h,h,3.684,-0.724,2.358,0.040).
atm(m383,a20,h,h,3.607,4.130,-0.981,0.063).
atm(m383,a21,h,h,3.826,4.051,0.777,0.063).
atm(m383,a22,h,h,5.144,1.905,0.516,0.051).
atm(m383,a23,h,h,4.925,1.985,-1.243,0.051).
atm(m383,a24,h,h,5.904,3.211,-0.414,0.041).
atm(m383,a25,h,h,0.327,3.921,1.202,0.064).
atm(m383,a26,h,h,0.102,3.990,-0.555,0.064).
atm(m383,a27,h,h,-1.086,1.759,-0.490,0.042).
atm(m383,a28,h,h,-0.861,1.689,1.265,0.042).
atm(m383,a29,h,h,-1.909,2.922,0.555,0.039).
bond(m383,a1,a2,1).
bond(m383,a1,a10,1).
bond(m383,a1,a11,1).
bond(m383,a1,a12,1).
bond(m383,a2,a3,1).
bond(m383,a2,a13,1).
bond(m383,a2,a14,1).
bond(m383,a3,a4,1).
bond(m383,a3,a6,1).
bond(m383,a3,a8,1).
bond(m383,a4,a5,1).
bond(m383,a4,a15,1).
bond(m383,a4,a16,1).
bond(m383,a5,a17,1).
bond(m383,a5,a18,1).
bond(m383,a5,a19,1).
bond(m383,a6,a7,1).
bond(m383,a6,a20,1).
bond(m383,a6,a21,1).
bond(m383,a7,a22,1).
bond(m383,a7,a23,1).
bond(m383,a7,a24,1).
bond(m383,a8,a9,1).
bond(m383,a8,a25,1).
bond(m383,a8,a26,1).
bond(m383,a9,a27,1).
bond(m383,a9,a28,1).
bond(m383,a9,a29,1).
atm(m384,a1,c,c3,3.498,2.425,0.000,-0.123).
atm(m384,a2,c,c3,1.975,2.412,-0.008,-0.070).
atm(m384,a3,c,c3,1.464,3.776,-0.442,-0.108).
atm(m384,a4,c,c3,1.460,1.283,-0.927,-0.085).
atm(m384,a5,c,c3,1.936,-0.079,-0.420,-0.156).
atm(m384,a6,n,n3,-0.020,1.341,-1.060,-0.040).
atm(m384,a7,h,h,3.887,3.119,0.756,0.042).
atm(m384,a8,h,h,3.904,1.425,0.221,0.044).
atm(m384,a9,h,h,3.905,2.735,-0.972,0.042).
atm(m384,a10,h,h,1.618,2.210,1.033,0.059).
atm(m384,a11,h,h,1.892,4.571,0.185,0.035).
atm(m384,a12,h,h,1.735,3.997,-1.483,0.042).
atm(m384,a13,h,h,0.372,3.851,-0.364,0.051).
atm(m384,a14,h,h,1.864,1.454,-1.956,0.073).
atm(m384,a15,h,h,3.025,-0.069,-0.250,0.058).
atm(m384,a16,h,h,1.465,-0.352,0.535,0.042).
atm(m384,a17,h,h,1.720,-0.881,-1.137,0.043).
atm(m384,a18,h,h,-0.443,1.287,-0.156,0.025).
atm(m384,a19,h,h,-0.329,0.568,-1.611,0.027).
bond(m384,a1,a2,1).
bond(m384,a1,a7,1).
bond(m384,a1,a8,1).
bond(m384,a1,a9,1).
bond(m384,a2,a3,1).
bond(m384,a2,a4,1).
bond(m384,a2,a10,1).
bond(m384,a3,a11,1).
bond(m384,a3,a12,1).
bond(m384,a3,a13,1).
bond(m384,a4,a5,1).
bond(m384,a4,a6,1).
bond(m384,a4,a14,1).
bond(m384,a5,a15,1).
bond(m384,a5,a16,1).
bond(m384,a5,a17,1).
bond(m384,a6,a18,1).
bond(m384,a6,a19,1).
atm(m385,a1,c,c3,0.000,1.213,0.000,-0.121).
atm(m385,a2,c,c3,1.505,1.204,-0.229,-0.093).
atm(m385,a3,c,c3,1.973,-0.212,-0.514,-0.103).
atm(m385,a4,c,c3,2.217,1.820,0.998,0.080).
atm(m385,a5,o,o3,3.611,1.608,0.864,-0.315).
atm(m385,a6,c,c3,1.859,3.324,1.135,-0.132).
atm(m385,a7,c,c3,2.357,4.133,-0.050,-0.115).
atm(m385,a8,c,c3,2.416,3.878,2.435,-0.111).
atm(m385,a9,h,h,-0.295,0.506,0.787,0.042).
atm(m385,a10,h,h,-0.544,0.938,-0.912,0.043).
atm(m385,a11,h,h,-0.344,2.214,0.310,0.043).
atm(m385,a12,h,h,1.739,1.857,-1.114,0.075).
atm(m385,a13,h,h,3.033,-0.243,-0.795,0.054).
atm(m385,a14,h,h,1.844,-0.863,0.360,0.039).
atm(m385,a15,h,h,1.401,-0.653,-1.342,0.035).
atm(m385,a16,h,h,1.887,1.281,1.922,0.045).
atm(m385,a17,h,h,4.025,2.234,1.450,0.193).
atm(m385,a18,h,h,0.737,3.380,1.155,0.080).
atm(m385,a19,h,h,2.079,3.636,-0.995,0.053).
atm(m385,a20,h,h,3.450,4.239,-0.045,0.044).
atm(m385,a21,h,h,1.927,5.142,-0.055,0.041).
atm(m385,a22,h,h,1.937,3.418,3.309,0.042).
atm(m385,a23,h,h,3.499,3.683,2.511,0.034).
atm(m385,a24,h,h,2.268,4.963,2.506,0.047).
bond(m385,a1,a2,1).
bond(m385,a1,a9,1).
bond(m385,a1,a10,1).
bond(m385,a1,a11,1).
bond(m385,a2,a3,1).
bond(m385,a2,a4,1).
bond(m385,a2,a12,1).
bond(m385,a3,a13,1).
bond(m385,a3,a14,1).
bond(m385,a3,a15,1).
bond(m385,a4,a5,1).
bond(m385,a4,a6,1).
bond(m385,a4,a16,1).
bond(m385,a5,a17,1).
bond(m385,a6,a7,1).
bond(m385,a6,a8,1).
bond(m385,a6,a18,1).
bond(m385,a7,a19,1).
bond(m385,a7,a20,1).
bond(m385,a7,a21,1).
bond(m385,a8,a22,1).
bond(m385,a8,a23,1).
bond(m385,a8,a24,1).
atm(m386,a1,c,car,4.356,6.179,0.000,-0.095).
atm(m386,a2,c,car,5.352,7.148,0.006,-0.095).
atm(m386,a3,c,car,6.692,6.781,-0.066,-0.109).
atm(m386,a4,c,car,7.039,5.437,-0.148,-0.092).
atm(m386,a5,c,car,6.054,4.457,-0.157,-0.122).
atm(m386,a6,c,car,4.706,4.825,-0.078,-0.078).
atm(m386,a7,n,npl3,3.632,3.840,-0.027,0.148).
atm(m386,a8,c,car,3.949,2.575,0.610,-0.065).
atm(m386,a9,c,car,4.450,2.598,1.920,-0.115).
atm(m386,a10,c,car,4.703,1.406,2.586,-0.087).
atm(m386,a11,c,car,4.457,0.186,1.964,-0.120).
atm(m386,a12,c,car,3.958,0.161,0.667,-0.085).
atm(m386,a13,c,car,3.706,1.345,-0.014,-0.135).
atm(m386,a14,c,car,2.793,3.780,-1.218,-0.078).
atm(m386,a15,c,car,1.436,3.472,-1.053,-0.097).
atm(m386,a16,c,car,0.596,3.447,-2.159,-0.096).
atm(m386,a17,c,car,1.093,3.733,-3.426,-0.109).
atm(m386,a18,c,car,2.438,4.045,-3.590,-0.092).
atm(m386,a19,c,car,3.292,4.068,-2.493,-0.120).
atm(m386,a20,h,h,3.303,6.480,0.052,0.117).
atm(m386,a21,h,h,5.078,8.207,0.069,0.104).
atm(m386,a22,h,h,7.471,7.550,-0.058,0.104).
atm(m386,a23,h,h,8.093,5.147,-0.206,0.104).
atm(m386,a24,h,h,6.337,3.399,-0.212,0.118).
atm(m386,a25,h,h,4.650,3.554,2.419,0.118).
atm(m386,a26,h,h,5.096,1.429,3.608,0.103).
atm(m386,a27,h,h,4.655,-0.750,2.495,0.104).
atm(m386,a28,h,h,3.764,-0.798,0.175,0.102).
atm(m386,a29,h,h,3.308,1.308,-1.036,0.119).
atm(m386,a30,h,h,1.038,3.243,-0.057,0.118).
atm(m386,a31,h,h,-0.464,3.202,-2.030,0.104).
atm(m386,a32,h,h,0.425,3.713,-4.294,0.104).
atm(m386,a33,h,h,2.829,4.272,-4.588,0.104).
atm(m386,a34,h,h,4.351,4.321,-2.630,0.118).
bond(m386,a1,a2,ar).
bond(m386,a1,a6,ar).
bond(m386,a1,a20,1).
bond(m386,a2,a3,ar).
bond(m386,a2,a21,1).
bond(m386,a3,a4,ar).
bond(m386,a3,a22,1).
bond(m386,a4,a5,ar).
bond(m386,a4,a23,1).
bond(m386,a5,a6,ar).
bond(m386,a5,a24,1).
bond(m386,a6,a7,1).
bond(m386,a7,a8,1).
bond(m386,a7,a14,1).
bond(m386,a8,a9,ar).
bond(m386,a8,a13,ar).
bond(m386,a9,a10,ar).
bond(m386,a9,a25,1).
bond(m386,a10,a11,ar).
bond(m386,a10,a26,1).
bond(m386,a11,a12,ar).
bond(m386,a11,a27,1).
bond(m386,a12,a13,ar).
bond(m386,a12,a28,1).
bond(m386,a13,a29,1).
bond(m386,a14,a15,ar).
bond(m386,a14,a19,ar).
bond(m386,a15,a16,ar).
bond(m386,a15,a30,1).
bond(m386,a16,a17,ar).
bond(m386,a16,a31,1).
bond(m386,a17,a18,ar).
bond(m386,a17,a32,1).
bond(m386,a18,a19,ar).
bond(m386,a18,a33,1).
bond(m386,a19,a34,1).
atm(m387,a1,c,car,2.422,0.700,0.000,-0.088).
atm(m387,a2,c,car,1.221,0.001,0.047,-0.098).
atm(m387,a3,c,car,0.010,0.681,-0.024,-0.091).
atm(m387,a4,c,car,-0.005,2.067,-0.141,-0.096).
atm(m387,a5,c,car,1.187,2.780,-0.192,-0.096).
atm(m387,a6,c,car,2.404,2.093,-0.122,-0.094).
atm(m387,a7,n,nam,3.676,2.811,-0.190,0.075).
atm(m387,a8,c,car,4.018,3.691,0.906,-0.051).
atm(m387,a9,c,car,3.367,3.563,2.140,-0.141).
atm(m387,a10,c,car,3.730,4.384,3.200,-0.084).
atm(m387,a11,c,car,4.737,5.331,3.047,-0.123).
atm(m387,a12,c,car,5.388,5.455,1.824,-0.076).
atm(m387,a13,c,car,5.037,4.642,0.755,-0.151).
atm(m387,a14,c,c2,4.258,2.873,-1.489,0.250).
atm(m387,a15,o,o2,5.217,3.585,-1.724,-0.367).
atm(m387,a16,h,h,3.372,0.157,0.060,0.117).
atm(m387,a17,h,h,1.231,-1.090,0.142,0.108).
atm(m387,a18,h,h,-0.933,0.125,0.015,0.107).
atm(m387,a19,h,h,-0.960,2.602,-0.195,0.108).
atm(m387,a20,h,h,1.167,3.873,-0.278,0.118).
atm(m387,a21,h,h,2.570,2.822,2.281,0.117).
atm(m387,a22,h,h,3.219,4.281,4.163,0.101).
atm(m387,a23,h,h,5.018,5.974,3.887,0.104).
atm(m387,a24,h,h,6.184,6.196,1.699,0.103).
atm(m387,a25,h,h,5.552,4.716,-0.225,0.166).
atm(m387,a26,h,h,3.811,2.208,-2.249,0.084).
bond(m387,a1,a2,ar).
bond(m387,a1,a6,ar).
bond(m387,a1,a16,1).
bond(m387,a2,a3,ar).
bond(m387,a2,a17,1).
bond(m387,a3,a4,ar).
bond(m387,a3,a18,1).
bond(m387,a4,a5,ar).
bond(m387,a4,a19,1).
bond(m387,a5,a6,ar).
bond(m387,a5,a20,1).
bond(m387,a6,a7,1).
bond(m387,a7,a8,1).
bond(m387,a7,a14,1).
bond(m387,a8,a9,ar).
bond(m387,a8,a13,ar).
bond(m387,a9,a10,ar).
bond(m387,a9,a21,1).
bond(m387,a10,a11,ar).
bond(m387,a10,a22,1).
bond(m387,a11,a12,ar).
bond(m387,a11,a23,1).
bond(m387,a12,a13,ar).
bond(m387,a12,a24,1).
bond(m387,a13,a25,1).
bond(m387,a14,a15,2).
bond(m387,a14,a26,1).
atm(m388,a1,c,c3,0.000,2.423,0.000,-0.149).
atm(m388,a2,c,c3,0.295,0.936,0.033,0.082).
atm(m388,a3,o,o3,1.482,0.630,0.757,-0.260).
atm(m388,a4,c,c2,2.697,0.759,0.153,0.379).
atm(m388,a5,o,o2,2.768,1.090,-1.013,-0.366).
atm(m388,a6,c,c3,3.885,0.418,1.049,-0.094).
atm(m388,a7,c,c3,4.051,-1.103,1.127,-0.043).
atm(m388,a8,c,car,5.419,-1.512,1.573,-0.091).
atm(m388,a9,c,car,6.552,-0.861,1.079,-0.107).
atm(m388,a10,c,car,7.821,-1.276,1.459,-0.090).
atm(m388,a11,c,car,7.970,-2.345,2.338,-0.101).
atm(m388,a12,c,car,6.846,-2.993,2.838,-0.098).
atm(m388,a13,c,car,5.573,-2.579,2.459,-0.092).
atm(m388,a14,c,c2,3.763,1.116,2.399,0.384).
atm(m388,a15,o,o2,4.165,2.238,2.644,-0.378).
atm(m388,a16,o,o3,3.152,0.396,3.375,-0.251).
atm(m388,a17,c,c3,3.000,0.993,4.666,0.079).
atm(m388,a18,c,c3,2.301,-0.037,5.532,-0.125).
atm(m388,a19,h,h,0.733,2.975,-0.603,0.060).
atm(m388,a20,h,h,-0.990,2.600,-0.440,0.050).
atm(m388,a21,h,h,0.000,2.867,1.004,0.051).
atm(m388,a22,h,h,-0.448,0.380,0.632,0.055).
atm(m388,a23,h,h,0.317,0.501,-0.984,0.056).
atm(m388,a24,h,h,4.812,0.832,0.554,0.122).
atm(m388,a25,h,h,3.276,-1.552,1.780,0.081).
atm(m388,a26,h,h,3.882,-1.537,0.120,0.069).
atm(m388,a27,h,h,6.418,-0.007,0.398,0.111).
atm(m388,a28,h,h,8.704,-0.760,1.068,0.105).
atm(m388,a29,h,h,8.971,-2.673,2.637,0.104).
atm(m388,a30,h,h,6.961,-3.831,3.532,0.104).
atm(m388,a31,h,h,4.690,-3.092,2.859,0.108).
atm(m388,a32,h,h,3.993,1.262,5.073,0.049).
atm(m388,a33,h,h,2.406,1.923,4.578,0.049).
atm(m388,a34,h,h,2.154,0.362,6.543,0.049).
atm(m388,a35,h,h,1.314,-0.309,5.135,0.050).
atm(m388,a36,h,h,2.883,-0.964,5.622,0.049).
bond(m388,a1,a2,1).
bond(m388,a1,a19,1).
bond(m388,a1,a20,1).
bond(m388,a1,a21,1).
bond(m388,a2,a3,1).
bond(m388,a2,a22,1).
bond(m388,a2,a23,1).
bond(m388,a3,a4,1).
bond(m388,a4,a5,2).
bond(m388,a4,a6,1).
bond(m388,a6,a7,1).
bond(m388,a6,a14,1).
bond(m388,a6,a24,1).
bond(m388,a7,a8,1).
bond(m388,a7,a25,1).
bond(m388,a7,a26,1).
bond(m388,a8,a9,ar).
bond(m388,a8,a13,ar).
bond(m388,a9,a10,ar).
bond(m388,a9,a27,1).
bond(m388,a10,a11,ar).
bond(m388,a10,a28,1).
bond(m388,a11,a12,ar).
bond(m388,a11,a29,1).
bond(m388,a12,a13,ar).
bond(m388,a12,a30,1).
bond(m388,a13,a31,1).
bond(m388,a14,a15,2).
bond(m388,a14,a16,1).
bond(m388,a16,a17,1).
bond(m388,a17,a18,1).
bond(m388,a17,a32,1).
bond(m388,a17,a33,1).
bond(m388,a18,a34,1).
bond(m388,a18,a35,1).
bond(m388,a18,a36,1).
atm(m389,a1,o,o3,0.000,2.425,0.000,-0.187).
atm(m389,a2,c,car,1.310,2.737,-0.140,0.184).
atm(m389,a3,c,car,1.740,3.997,0.287,-0.177).
atm(m389,a4,br,br,0.645,5.290,1.039,0.093).
atm(m389,a5,c,car,3.056,4.391,0.179,-0.064).
atm(m389,a6,br,br,3.334,6.112,0.825,0.089).
atm(m389,a7,c,car,4.015,3.557,-0.358,-0.120).
atm(m389,a8,br,br,5.784,4.095,-0.499,0.093).
atm(m389,a9,c,car,3.611,2.312,-0.784,-0.058).
atm(m389,a10,br,br,4.699,1.008,-1.539,0.087).
atm(m389,a11,c,car,2.296,1.908,-0.680,-0.225).
atm(m389,a12,br,br,2.016,0.186,-1.327,0.075).
atm(m389,a13,h,h,-0.124,1.543,-0.335,0.211).
bond(m389,a1,a2,1).
bond(m389,a1,a13,1).
bond(m389,a2,a3,ar).
bond(m389,a2,a11,ar).
bond(m389,a3,a4,1).
bond(m389,a3,a5,ar).
bond(m389,a5,a6,1).
bond(m389,a5,a7,ar).
bond(m389,a7,a8,1).
bond(m389,a7,a9,ar).
bond(m389,a9,a10,1).
bond(m389,a9,a11,ar).
bond(m389,a11,a12,1).
atm(m38,a1,c,c3,0.000,0.000,0.000,-0.111).
atm(m38,a2,c,c3,1.314,0.758,0.000,-0.096).
atm(m38,a3,c,c3,2.514,-0.176,0.001,-0.102).
atm(m38,a4,c,c3,3.821,0.601,0.002,-0.095).
atm(m38,a5,c,c3,5.017,-0.335,0.003,-0.187).
atm(m38,a6,c,c2,6.319,0.428,0.003,0.279).
atm(m38,a7,o,o2,7.398,-0.120,0.002,-0.319).
atm(m38,a8,h,h,0.143,-1.089,0.000,0.042).
atm(m38,a9,h,h,-0.608,0.240,0.882,0.037).
atm(m38,a10,h,h,-0.608,0.241,-0.882,0.037).
atm(m38,a11,h,h,1.369,1.429,-0.880,0.048).
atm(m38,a12,h,h,1.368,1.430,0.880,0.048).
atm(m38,a13,h,h,2.473,-0.845,0.884,0.053).
atm(m38,a14,h,h,2.474,-0.846,-0.881,0.053).
atm(m38,a15,h,h,3.863,1.270,-0.882,0.052).
atm(m38,a16,h,h,3.862,1.271,0.884,0.052).
atm(m38,a17,h,h,4.978,-1.006,0.885,0.081).
atm(m38,a18,h,h,4.979,-1.007,-0.879,0.081).
atm(m38,a19,h,h,6.261,1.529,0.004,0.046).
bond(m38,a1,a2,1).
bond(m38,a1,a8,1).
bond(m38,a1,a9,1).
bond(m38,a1,a10,1).
bond(m38,a2,a3,1).
bond(m38,a2,a11,1).
bond(m38,a2,a12,1).
bond(m38,a3,a4,1).
bond(m38,a3,a13,1).
bond(m38,a3,a14,1).
bond(m38,a4,a5,1).
bond(m38,a4,a15,1).
bond(m38,a4,a16,1).
bond(m38,a5,a6,1).
bond(m38,a5,a17,1).
bond(m38,a5,a18,1).
bond(m38,a6,a7,2).
bond(m38,a6,a19,1).
atm(m390,a1,o,o3,5.600,2.425,0.000,-0.194).
atm(m390,a2,c,car,4.243,2.486,0.014,0.161).
atm(m390,a3,c,car,3.589,1.300,-0.348,-0.202).
atm(m390,a4,i,i,4.689,-0.255,-0.817,0.088).
atm(m390,a5,c,car,2.213,1.190,-0.386,-0.010).
atm(m390,a6,c,car,1.478,2.317,-0.046,-0.179).
atm(m390,a7,i,i,-0.485,2.201,-0.088,0.044).
atm(m390,a8,c,car,2.060,3.517,0.321,-0.012).
atm(m390,a9,c,car,3.447,3.586,0.346,-0.235).
atm(m390,a10,i,i,4.231,5.313,0.874,0.060).
atm(m390,a11,h,h,5.951,3.268,0.258,0.205).
atm(m390,a12,h,h,1.725,0.253,-0.673,0.137).
atm(m390,a13,h,h,1.448,4.386,0.583,0.137).
bond(m390,a1,a2,1).
bond(m390,a1,a11,1).
bond(m390,a2,a3,ar).
bond(m390,a2,a9,ar).
bond(m390,a3,a4,1).
bond(m390,a3,a5,ar).
bond(m390,a5,a6,ar).
bond(m390,a5,a12,1).
bond(m390,a6,a7,1).
bond(m390,a6,a8,ar).
bond(m390,a8,a9,ar).
bond(m390,a8,a13,1).
bond(m390,a9,a10,1).
atm(m391,a1,c,car,2.100,1.211,0.000,-0.258).
atm(m391,a2,c,c2,0.618,1.223,0.062,0.331).
atm(m391,a3,o,o2,-0.067,0.246,-0.144,-0.320).
atm(m391,a4,c,car,2.840,2.396,-0.182,0.136).
atm(m391,a5,o,o3,2.230,3.622,-0.438,-0.214).
atm(m391,a6,c,c3,1.658,4.234,0.697,0.051).
atm(m391,a7,c,car,4.234,2.376,-0.235,-0.178).
atm(m391,a8,c,car,4.900,1.147,-0.107,0.132).
atm(m391,a9,o,o3,6.272,1.248,-0.171,-0.185).
atm(m391,a10,c,c3,7.019,0.059,-0.082,0.050).
atm(m391,a11,c,car,4.181,-0.040,0.071,-0.213).
atm(m391,a12,c,car,2.794,0.005,0.118,0.011).
atm(m391,a13,h,h,0.144,2.188,0.327,0.056).
atm(m391,a14,h,h,2.376,4.352,1.516,0.029).
atm(m391,a15,h,h,0.780,3.672,1.048,0.027).
atm(m391,a16,h,h,1.353,5.212,0.315,0.051).
atm(m391,a17,h,h,4.798,3.305,-0.387,0.138).
atm(m391,a18,h,h,8.045,0.424,-0.171,0.053).
atm(m391,a19,h,h,6.882,-0.446,0.882,0.030).
atm(m391,a20,h,h,6.793,-0.636,-0.899,0.032).
atm(m391,a21,h,h,4.689,-1.006,0.170,0.122).
atm(m391,a22,h,h,2.229,-0.928,0.247,0.118).
bond(m391,a1,a2,1).
bond(m391,a1,a4,ar).
bond(m391,a1,a12,ar).
bond(m391,a2,a3,2).
bond(m391,a2,a13,1).
bond(m391,a4,a5,1).
bond(m391,a4,a7,ar).
bond(m391,a5,a6,1).
bond(m391,a6,a14,1).
bond(m391,a6,a15,1).
bond(m391,a6,a16,1).
bond(m391,a7,a8,ar).
bond(m391,a7,a17,1).
bond(m391,a8,a9,1).
bond(m391,a8,a11,ar).
bond(m391,a9,a10,1).
bond(m391,a10,a18,1).
bond(m391,a10,a19,1).
bond(m391,a10,a20,1).
bond(m391,a11,a12,ar).
bond(m391,a11,a21,1).
bond(m391,a12,a22,1).
atm(m392,a1,o,o3,2.800,4.856,0.000,-0.224).
atm(m392,a2,c,car,2.075,3.698,-0.003,0.109).
atm(m392,a3,c,car,2.603,2.427,-0.314,-0.174).
atm(m392,a4,n,nam,4.008,2.327,-0.657,0.015).
atm(m392,a5,c,c2,4.789,1.173,-0.325,0.240).
atm(m392,a6,o,o2,5.774,0.996,-1.025,-0.360).
atm(m392,a7,c,c3,4.435,0.325,0.863,-0.140).
atm(m392,a8,c,car,1.752,1.317,-0.286,-0.093).
atm(m392,a9,c,car,0.406,1.468,0.012,-0.127).
atm(m392,a10,c,car,-0.114,2.730,0.289,-0.067).
atm(m392,a11,c,car,0.710,3.845,0.289,-0.134).
atm(m392,a12,h,h,3.724,4.637,0.014,0.207).
atm(m392,a13,h,h,4.182,2.702,-1.567,0.085).
atm(m392,a14,h,h,5.217,-0.414,1.079,0.074).
atm(m392,a15,h,h,4.289,0.934,1.765,0.070).
atm(m392,a16,h,h,3.495,-0.219,0.666,0.069).
atm(m392,a17,h,h,2.162,0.311,-0.471,0.113).
atm(m392,a18,h,h,-0.249,0.591,0.027,0.109).
atm(m392,a19,h,h,-1.180,2.843,0.514,0.105).
atm(m392,a20,h,h,0.303,4.837,0.517,0.124).
bond(m392,a1,a2,1).
bond(m392,a1,a12,1).
bond(m392,a2,a3,ar).
bond(m392,a2,a11,ar).
bond(m392,a3,a4,1).
bond(m392,a3,a8,ar).
bond(m392,a4,a5,1).
bond(m392,a4,a13,1).
bond(m392,a5,a6,2).
bond(m392,a5,a7,1).
bond(m392,a7,a14,1).
bond(m392,a7,a15,1).
bond(m392,a7,a16,1).
bond(m392,a8,a9,ar).
bond(m392,a8,a17,1).
bond(m392,a9,a10,ar).
bond(m392,a9,a18,1).
bond(m392,a10,a11,ar).
bond(m392,a10,a19,1).
bond(m392,a11,a20,1).
atm(m393,a1,n,npl3,4.852,2.800,0.000,0.077).
atm(m393,a2,c,car,3.592,2.132,-0.003,-0.080).
atm(m393,a3,c,car,3.484,0.794,0.403,-0.166).
atm(m393,a4,cl,cl,4.867,-0.104,0.776,0.065).
atm(m393,a5,c,car,2.242,0.174,0.500,-0.073).
atm(m393,a6,c,car,1.084,0.885,0.192,-0.098).
atm(m393,a7,c,c3,-0.251,0.242,0.293,-0.060).
atm(m393,a8,c,car,1.185,2.218,-0.216,-0.073).
atm(m393,a9,c,car,2.420,2.839,-0.317,-0.133).
atm(m393,a10,h,h,5.606,2.165,-0.153,0.039).
atm(m393,a11,h,h,4.870,3.552,-0.652,0.033).
atm(m393,a12,h,h,2.185,-0.873,0.821,0.117).
atm(m393,a13,h,h,-0.186,-0.804,0.621,0.044).
atm(m393,a14,h,h,-0.888,0.776,1.011,0.047).
atm(m393,a15,h,h,-0.765,0.255,-0.678,0.045).
atm(m393,a16,h,h,0.273,2.776,-0.458,0.105).
atm(m393,a17,h,h,2.474,3.885,-0.639,0.111).
bond(m393,a1,a2,1).
bond(m393,a1,a10,1).
bond(m393,a1,a11,1).
bond(m393,a2,a3,ar).
bond(m393,a2,a9,ar).
bond(m393,a3,a4,1).
bond(m393,a3,a5,ar).
bond(m393,a5,a6,ar).
bond(m393,a5,a12,1).
bond(m393,a6,a7,1).
bond(m393,a6,a8,ar).
bond(m393,a7,a13,1).
bond(m393,a7,a14,1).
bond(m393,a7,a15,1).
bond(m393,a8,a9,ar).
bond(m393,a8,a16,1).
bond(m393,a9,a17,1).
atm(m394,a1,n,npl3,7.278,4.204,0.000,0.060).
atm(m394,a2,c,car,6.028,3.549,0.003,0.013).
atm(m394,a3,c,car,5.901,2.174,0.306,-0.455).
atm(m394,a4,n,n4,7.088,1.292,0.452,1.322).
atm(m394,a5,o,oco2,8.184,1.711,0.102,-0.632).
atm(m394,a6,o,oco2,6.975,0.170,0.896,-0.585).
atm(m394,a7,c,car,4.623,1.609,0.455,-0.020).
atm(m394,a8,c,car,3.488,2.397,0.273,0.024).
atm(m394,a9,o,o3,2.293,1.712,0.383,-0.189).
atm(m394,a10,c,c3,1.142,2.495,0.687,0.059).
atm(m394,a11,c,c3,0.047,1.519,1.075,-0.123).
atm(m394,a12,c,car,3.608,3.756,-0.064,-0.070).
atm(m394,a13,c,car,4.861,4.318,-0.194,-0.156).
atm(m394,a14,h,h,8.054,3.578,-0.122,0.100).
atm(m394,a15,h,h,7.304,4.993,-0.603,0.045).
atm(m394,a16,h,h,4.510,0.543,0.708,0.145).
atm(m394,a17,h,h,1.356,3.208,1.507,0.038).
atm(m394,a18,h,h,0.855,3.086,-0.205,0.034).
atm(m394,a19,h,h,-0.172,0.805,0.270,0.053).
atm(m394,a20,h,h,0.313,0.935,1.966,0.053).
atm(m394,a21,h,h,-0.880,2.063,1.298,0.047).
atm(m394,a22,h,h,2.717,4.376,-0.225,0.116).
atm(m394,a23,h,h,4.945,5.381,-0.453,0.119).
bond(m394,a1,a2,1).
bond(m394,a1,a14,1).
bond(m394,a1,a15,1).
bond(m394,a2,a3,ar).
bond(m394,a2,a13,ar).
bond(m394,a3,a4,1).
bond(m394,a3,a7,ar).
bond(m394,a4,a5,2).
bond(m394,a4,a6,1).
bond(m394,a7,a8,ar).
bond(m394,a7,a16,1).
bond(m394,a8,a9,1).
bond(m394,a8,a12,ar).
bond(m394,a9,a10,1).
bond(m394,a10,a11,1).
bond(m394,a10,a17,1).
bond(m394,a10,a18,1).
bond(m394,a11,a19,1).
bond(m394,a11,a20,1).
bond(m394,a11,a21,1).
bond(m394,a12,a13,ar).
bond(m394,a12,a22,1).
bond(m394,a13,a23,1).
atm(m395,a1,c,car,4.204,0.000,0.000,-0.070).
atm(m395,a2,c,car,2.823,-0.025,0.163,-0.014).
atm(m395,a3,c,car,2.119,1.171,0.342,-0.387).
atm(m395,a4,n,n4,0.626,1.148,0.513,1.303).
atm(m395,a5,o,oco2,0.043,0.083,0.493,-0.591).
atm(m395,a6,o,oco2,0.032,2.195,0.672,-0.593).
atm(m395,a7,c,car,2.807,2.389,0.360,-0.013).
atm(m395,a8,c,car,4.186,2.407,0.205,-0.101).
atm(m395,a9,c,car,4.888,1.215,0.021,-0.081).
atm(m395,a10,c,c2,6.360,1.218,-0.219,0.390).
atm(m395,a11,o,o2,6.937,0.646,-1.118,-0.316).
atm(m395,a12,o,o3,7.280,1.872,0.550,-0.227).
atm(m395,a13,c,c3,6.857,2.618,1.665,0.043).
atm(m395,a14,h,h,4.752,-0.937,-0.159,0.131).
atm(m395,a15,h,h,2.296,-0.990,0.145,0.139).
atm(m395,a16,h,h,2.268,3.338,0.497,0.138).
atm(m395,a17,h,h,4.737,3.360,0.249,0.128).
atm(m395,a18,h,h,7.791,3.033,2.052,0.061).
atm(m395,a19,h,h,6.170,3.426,1.372,0.029).
atm(m395,a20,h,h,6.380,1.987,2.422,0.031).
bond(m395,a1,a2,ar).
bond(m395,a1,a9,ar).
bond(m395,a1,a14,1).
bond(m395,a2,a3,ar).
bond(m395,a2,a15,1).
bond(m395,a3,a4,1).
bond(m395,a3,a7,ar).
bond(m395,a4,a5,2).
bond(m395,a4,a6,1).
bond(m395,a7,a8,ar).
bond(m395,a7,a16,1).
bond(m395,a8,a9,ar).
bond(m395,a8,a17,1).
bond(m395,a9,a10,1).
bond(m395,a10,a11,2).
bond(m395,a10,a12,1).
bond(m395,a12,a13,1).
bond(m395,a13,a18,1).
bond(m395,a13,a19,1).
bond(m395,a13,a20,1).
atm(m396,a1,c,car,2.802,2.424,0.000,-0.101).
atm(m396,a2,c,car,4.190,2.431,0.004,-0.016).
atm(m396,a3,c,car,4.893,1.220,0.025,-0.389).
atm(m396,a4,n,n4,6.394,1.223,0.030,1.303).
atm(m396,a5,o,oco2,6.985,2.283,-0.002,-0.595).
atm(m396,a6,o,oco2,6.991,0.167,0.066,-0.592).
atm(m396,a7,c,car,4.193,0.010,0.040,-0.016).
atm(m396,a8,c,car,2.802,0.011,0.034,-0.066).
atm(m396,a9,c,car,2.101,1.216,0.015,-0.073).
atm(m396,a10,c,c2,0.607,1.200,-0.001,0.253).
atm(m396,a11,o,o2,-0.062,0.262,-0.412,-0.353).
atm(m396,a12,n,nam,-0.076,2.302,0.572,0.005).
atm(m396,a13,h,h,2.253,3.377,-0.008,0.114).
atm(m396,a14,h,h,4.725,3.391,-0.009,0.137).
atm(m396,a15,h,h,4.729,-0.950,0.056,0.138).
atm(m396,a16,h,h,2.253,-0.941,0.038,0.136).
atm(m396,a17,h,h,0.428,3.161,0.510,0.049).
atm(m396,a18,h,h,-1.038,2.386,0.332,0.067).
bond(m396,a1,a2,ar).
bond(m396,a1,a9,ar).
bond(m396,a1,a13,1).
bond(m396,a2,a3,ar).
bond(m396,a2,a14,1).
bond(m396,a3,a4,1).
bond(m396,a3,a7,ar).
bond(m396,a4,a5,2).
bond(m396,a4,a6,1).
bond(m396,a7,a8,ar).
bond(m396,a7,a15,1).
bond(m396,a8,a9,ar).
bond(m396,a8,a16,1).
bond(m396,a9,a10,1).
bond(m396,a10,a11,2).
bond(m396,a10,a12,1).
bond(m396,a12,a17,1).
bond(m396,a12,a18,1).
atm(m397,a1,c,car,7.279,2.106,0.000,-0.105).
atm(m397,a2,c,car,8.481,2.799,-0.090,-0.089).
atm(m397,a3,c,car,9.692,2.124,0.029,-0.097).
atm(m397,a4,c,car,9.713,0.749,0.238,-0.089).
atm(m397,a5,c,car,8.523,0.034,0.331,-0.105).
atm(m397,a6,c,car,7.313,0.725,0.212,0.027).
atm(m397,a7,o,o3,6.119,-0.002,0.163,-0.126).
atm(m397,a8,c,car,5.467,-0.191,1.358,0.153).
atm(m397,a9,c,car,4.272,-0.924,1.254,-0.170).
atm(m397,a10,c,car,3.529,-1.177,2.394,0.027).
atm(m397,a11,c,car,3.964,-0.708,3.644,-0.456).
atm(m397,a12,n,n4,3.158,-0.984,4.868,1.315).
atm(m397,a13,o,oco2,3.542,-0.568,5.945,-0.606).
atm(m397,a14,o,oco2,2.126,-1.622,4.777,-0.605).
atm(m397,a15,c,car,5.156,0.021,3.736,0.035).
atm(m397,a16,c,car,5.908,0.281,2.601,-0.206).
atm(m397,a17,h,h,6.323,2.632,-0.101,0.120).
atm(m397,a18,h,h,8.472,3.881,-0.258,0.109).
atm(m397,a19,h,h,10.634,2.679,-0.043,0.108).
atm(m397,a20,h,h,10.670,0.223,0.327,0.109).
atm(m397,a21,h,h,8.535,-1.050,0.488,0.120).
atm(m397,a22,h,h,3.929,-1.292,0.280,0.133).
atm(m397,a23,h,h,2.595,-1.750,2.308,0.132).
atm(m397,a24,h,h,5.509,0.396,4.708,0.131).
atm(m397,a25,h,h,6.842,0.853,2.680,0.134).
bond(m397,a1,a2,ar).
bond(m397,a1,a6,ar).
bond(m397,a1,a17,1).
bond(m397,a2,a3,ar).
bond(m397,a2,a18,1).
bond(m397,a3,a4,ar).
bond(m397,a3,a19,1).
bond(m397,a4,a5,ar).
bond(m397,a4,a20,1).
bond(m397,a5,a6,ar).
bond(m397,a5,a21,1).
bond(m397,a6,a7,1).
bond(m397,a7,a8,1).
bond(m397,a8,a9,ar).
bond(m397,a8,a16,ar).
bond(m397,a9,a10,ar).
bond(m397,a9,a22,1).
bond(m397,a10,a11,ar).
bond(m397,a10,a23,1).
bond(m397,a11,a12,1).
bond(m397,a11,a15,ar).
bond(m397,a12,a13,2).
bond(m397,a12,a14,1).
bond(m397,a15,a16,ar).
bond(m397,a15,a24,1).
bond(m397,a16,a25,1).
atm(m398,a1,c,car,9.705,2.106,0.000,-0.101).
atm(m398,a2,c,car,9.328,1.241,1.021,-0.106).
atm(m398,a3,c,car,7.985,0.951,1.233,-0.107).
atm(m398,a4,c,car,7.013,1.527,0.413,-0.097).
atm(m398,a5,c,c3,5.578,1.174,0.590,-0.273).
atm(m398,a6,s,so,4.347,2.542,0.438,0.892).
atm(m398,a7,o,o2,4.764,3.303,-0.872,-0.693).
atm(m398,a8,c,c3,4.910,3.688,1.780,-0.282).
atm(m398,a9,c,car,4.613,3.174,3.141,-0.074).
atm(m398,a10,c,car,5.549,2.385,3.816,-0.111).
atm(m398,a11,c,car,5.278,1.927,5.100,-0.096).
atm(m398,a12,c,car,4.076,2.252,5.720,-0.097).
atm(m398,a13,c,car,3.408,3.501,3.769,-0.091).
atm(m398,a14,c,car,3.143,3.039,5.053,-0.096).
atm(m398,a15,c,car,8.735,2.696,-0.805,-0.089).
atm(m398,a16,c,car,7.391,2.412,-0.601,-0.132).
atm(m398,a17,h,h,10.764,2.326,-0.167,0.102).
atm(m398,a18,h,h,10.091,0.783,1.661,0.102).
atm(m398,a19,h,h,7.694,0.268,2.039,0.103).
atm(m398,a20,h,h,5.306,0.423,-0.176,0.106).
atm(m398,a21,h,h,5.412,0.693,1.574,0.095).
atm(m398,a22,h,h,5.992,3.902,1.676,0.104).
atm(m398,a23,h,h,4.400,4.656,1.609,0.107).
atm(m398,a24,h,h,6.501,2.129,3.331,0.117).
atm(m398,a25,h,h,6.016,1.312,5.625,0.105).
atm(m398,a26,h,h,3.866,1.891,6.732,0.106).
atm(m398,a27,h,h,2.672,4.126,3.250,0.110).
atm(m398,a28,h,h,2.197,3.298,5.541,0.106).
atm(m398,a29,h,h,9.027,3.388,-1.602,0.106).
atm(m398,a30,h,h,6.577,2.904,-1.190,0.187).
bond(m398,a1,a2,ar).
bond(m398,a1,a15,ar).
bond(m398,a1,a17,1).
bond(m398,a2,a3,ar).
bond(m398,a2,a18,1).
bond(m398,a3,a4,ar).
bond(m398,a3,a19,1).
bond(m398,a4,a5,1).
bond(m398,a4,a16,ar).
bond(m398,a5,a6,1).
bond(m398,a5,a20,1).
bond(m398,a5,a21,1).
bond(m398,a6,a7,2).
bond(m398,a6,a8,1).
bond(m398,a8,a9,1).
bond(m398,a8,a22,1).
bond(m398,a8,a23,1).
bond(m398,a9,a10,ar).
bond(m398,a9,a13,ar).
bond(m398,a10,a11,ar).
bond(m398,a10,a24,1).
bond(m398,a11,a12,ar).
bond(m398,a11,a25,1).
bond(m398,a12,a14,ar).
bond(m398,a12,a26,1).
bond(m398,a13,a14,ar).
bond(m398,a13,a27,1).
bond(m398,a14,a28,1).
bond(m398,a15,a16,ar).
bond(m398,a15,a29,1).
bond(m398,a16,a30,1).
atm(m399,a1,o,o3,7.268,0.000,0.000,-0.231).
atm(m399,a2,c,car,6.062,0.650,-0.003,0.119).
atm(m399,a3,c,car,4.929,-0.170,0.020,-0.192).
atm(m399,a4,c,car,3.667,0.436,0.018,-0.030).
atm(m399,a5,n,nam,2.507,-0.408,0.106,0.056).
atm(m399,a6,c,c2,1.179,0.027,-0.177,0.238).
atm(m399,a7,o,o2,0.909,1.220,-0.184,-0.359).
atm(m399,a8,c,c3,0.154,-1.060,-0.381,-0.145).
atm(m399,a9,c,car,3.546,1.831,-0.015,-0.183).
atm(m399,a10,c,car,4.687,2.621,-0.039,-0.031).
atm(m399,a11,c,car,5.952,2.046,-0.032,-0.218).
atm(m399,a12,h,h,7.952,0.658,-0.008,0.198).
atm(m399,a13,h,h,5.046,-1.261,0.043,0.126).
atm(m399,a14,h,h,2.687,-1.364,-0.110,0.070).
atm(m399,a15,h,h,0.116,-1.742,0.479,0.065).
atm(m399,a16,h,h,-0.853,-0.641,-0.513,0.075).
atm(m399,a17,h,h,0.380,-1.657,-1.275,0.059).
atm(m399,a18,h,h,2.526,2.267,-0.034,0.169).
atm(m399,a19,h,h,4.586,3.711,-0.064,0.102).
atm(m399,a20,h,h,6.844,2.682,-0.048,0.112).
bond(m399,a1,a2,1).
bond(m399,a1,a12,1).
bond(m399,a2,a3,ar).
bond(m399,a2,a11,ar).
bond(m399,a3,a4,ar).
bond(m399,a3,a13,1).
bond(m399,a4,a5,1).
bond(m399,a4,a9,ar).
bond(m399,a5,a6,1).
bond(m399,a5,a14,1).
bond(m399,a6,a7,2).
bond(m399,a6,a8,1).
bond(m399,a8,a15,1).
bond(m399,a8,a16,1).
bond(m399,a8,a17,1).
bond(m399,a9,a10,ar).
bond(m399,a9,a18,1).
bond(m399,a10,a11,ar).
bond(m399,a10,a19,1).
bond(m399,a11,a20,1).
atm(m39,a1,o,o2,6.225,0.620,0.000,-0.336).
atm(m39,a2,c,c2,5.078,1.010,0.057,0.422).
atm(m39,a3,o,o3,4.259,-0.086,-0.142,-0.164).
atm(m39,a4,c,car,2.900,0.095,-0.128,0.120).
atm(m39,a5,c,car,2.129,-1.059,-0.346,-0.140).
atm(m39,a6,c,car,0.751,-0.948,-0.359,-0.045).
atm(m39,a7,c,car,0.135,0.291,-0.158,-0.146).
atm(m39,a8,c,car,0.893,1.428,0.063,-0.020).
atm(m39,a9,c,car,2.294,1.347,0.074,-0.156).
atm(m39,a10,c,c2,3.166,2.496,0.292,0.222).
atm(m39,a11,o,o3,2.520,3.673,0.482,-0.220).
atm(m39,a12,c,c2,4.525,2.348,0.277,-0.322).
atm(m39,a13,c,c3,5.473,3.490,0.436,0.069).
atm(m39,a14,c,c2,6.373,3.405,1.626,-0.249).
atm(m39,a15,c,c2,5.973,3.127,2.901,0.190).
atm(m39,a16,o,o3,4.646,2.968,3.155,-0.222).
atm(m39,a17,c,car,6.955,3.020,3.978,-0.185).
atm(m39,a18,c,car,6.611,2.693,5.299,-0.052).
atm(m39,a19,c,car,7.584,2.608,6.275,-0.127).
atm(m39,a20,c,car,8.926,2.855,5.959,-0.047).
atm(m39,a21,c,car,9.297,3.187,4.669,-0.128).
atm(m39,a22,c,car,8.303,3.266,3.675,0.134).
atm(m39,a23,o,o3,8.732,3.586,2.415,-0.161).
atm(m39,a24,c,c2,7.802,3.658,1.393,0.417).
atm(m39,a25,o,o2,8.401,3.965,0.385,-0.329).
atm(m39,a26,h,h,2.620,-2.028,-0.500,0.129).
atm(m39,a27,h,h,0.134,-1.835,-0.537,0.105).
atm(m39,a28,h,h,-0.958,0.359,-0.168,0.111).
atm(m39,a29,h,h,0.395,2.390,0.229,0.118).
atm(m39,a30,h,h,3.176,4.345,0.656,0.218).
atm(m39,a31,h,h,6.077,3.546,-0.494,0.091).
atm(m39,a32,h,h,4.919,4.456,0.493,0.040).
atm(m39,a33,h,h,4.549,2.713,4.068,0.212).
atm(m39,a34,h,h,5.556,2.504,5.550,0.098).
atm(m39,a35,h,h,7.309,2.343,7.302,0.112).
atm(m39,a36,h,h,9.688,2.780,6.742,0.108).
atm(m39,a37,h,h,10.346,3.375,4.414,0.131).
bond(m39,a1,a2,2).
bond(m39,a2,a3,1).
bond(m39,a2,a12,1).
bond(m39,a3,a4,1).
bond(m39,a4,a5,ar).
bond(m39,a4,a9,ar).
bond(m39,a5,a6,ar).
bond(m39,a5,a26,1).
bond(m39,a6,a7,ar).
bond(m39,a6,a27,1).
bond(m39,a7,a8,ar).
bond(m39,a7,a28,1).
bond(m39,a8,a9,ar).
bond(m39,a8,a29,1).
bond(m39,a9,a10,1).
bond(m39,a10,a11,1).
bond(m39,a10,a12,2).
bond(m39,a11,a30,1).
bond(m39,a12,a13,1).
bond(m39,a13,a14,1).
bond(m39,a13,a31,1).
bond(m39,a13,a32,1).
bond(m39,a14,a15,2).
bond(m39,a14,a24,1).
bond(m39,a15,a16,1).
bond(m39,a15,a17,1).
bond(m39,a16,a33,1).
bond(m39,a17,a18,ar).
bond(m39,a17,a22,ar).
bond(m39,a18,a19,ar).
bond(m39,a18,a34,1).
bond(m39,a19,a20,ar).
bond(m39,a19,a35,1).
bond(m39,a20,a21,ar).
bond(m39,a20,a36,1).
bond(m39,a21,a22,ar).
bond(m39,a21,a37,1).
bond(m39,a22,a23,1).
bond(m39,a23,a24,1).
bond(m39,a24,a25,2).
atm(m3,a1,c,c3,15.398,7.268,0.000,-0.109).
atm(m3,a2,c,c3,14.662,5.972,0.254,-0.098).
atm(m3,a3,c,c3,13.155,6.172,0.219,-0.103).
atm(m3,a4,c,c3,12.417,4.867,0.470,-0.102).
atm(m3,a5,c,c3,10.911,5.069,0.437,-0.102).
atm(m3,a6,c,c3,10.173,3.763,0.683,-0.098).
atm(m3,a7,c,c3,8.667,3.969,0.653,-0.118).
atm(m3,a8,c,c3,7.952,2.643,0.897,0.075).
atm(m3,a9,o,o3,6.553,2.931,0.853,-0.264).
atm(m3,a10,c,c2,5.676,1.899,1.017,0.426).
atm(m3,a11,o,o2,6.099,0.779,1.227,-0.378).
atm(m3,a12,c,car,4.249,2.313,0.926,-0.135).
atm(m3,a13,c,car,3.310,1.671,1.738,-0.023).
atm(m3,a14,c,car,1.969,2.030,1.661,-0.127).
atm(m3,a15,c,car,1.556,3.024,0.781,-0.023).
atm(m3,a16,c,car,2.494,3.662,-0.033,-0.137).
atm(m3,a17,c,c2,2.079,4.715,-1.001,0.423).
atm(m3,a18,o,o2,2.531,4.898,-2.115,-0.373).
atm(m3,a19,o,o3,1.102,5.539,-0.516,-0.264).
atm(m3,a20,c,c3,0.585,6.579,-1.335,0.076).
atm(m3,a21,c,c3,-0.488,6.081,-2.299,-0.139).
atm(m3,a22,c,c3,-1.154,7.254,-2.997,-0.095).
atm(m3,a23,c,c3,-2.224,6.782,-3.968,-0.102).
atm(m3,a24,c,c3,-2.892,7.955,-4.667,-0.102).
atm(m3,a25,c,c3,-3.961,7.482,-5.639,-0.103).
atm(m3,a26,c,c3,-4.631,8.654,-6.338,-0.098).
atm(m3,a27,c,c3,-5.694,8.186,-7.307,-0.109).
atm(m3,a28,c,car,3.842,3.306,0.034,0.002).
atm(m3,a29,h,h,16.485,7.121,0.027,0.037).
atm(m3,a30,h,h,15.149,7.689,-0.983,0.038).
atm(m3,a31,h,h,15.151,8.029,0.752,0.038).
atm(m3,a32,h,h,14.959,5.214,-0.498,0.049).
atm(m3,a33,h,h,14.964,5.551,1.235,0.048).
atm(m3,a34,h,h,12.857,6.927,0.974,0.051).
atm(m3,a35,h,h,12.854,6.596,-0.760,0.051).
atm(m3,a36,h,h,12.714,4.112,-0.287,0.051).
atm(m3,a37,h,h,12.721,4.442,1.448,0.051).
atm(m3,a38,h,h,10.613,5.821,1.196,0.052).
atm(m3,a39,h,h,10.607,5.498,-0.539,0.053).
atm(m3,a40,h,h,10.469,3.012,-0.078,0.053).
atm(m3,a41,h,h,10.478,3.333,1.659,0.053).
atm(m3,a42,h,h,8.370,4.716,1.415,0.062).
atm(m3,a43,h,h,8.361,4.400,-0.321,0.062).
atm(m3,a44,h,h,8.208,1.894,0.123,0.051).
atm(m3,a45,h,h,8.215,2.214,1.883,0.050).
atm(m3,a46,h,h,3.632,0.882,2.428,0.121).
atm(m3,a47,h,h,1.234,1.526,2.298,0.114).
atm(m3,a48,h,h,0.497,3.302,0.728,0.117).
atm(m3,a49,h,h,0.166,7.253,-0.565,0.056).
atm(m3,a50,h,h,1.390,7.121,-1.868,0.059).
atm(m3,a51,h,h,-0.043,5.395,-3.047,0.070).
atm(m3,a52,h,h,-1.246,5.480,-1.756,0.059).
atm(m3,a53,h,h,-1.599,7.940,-2.248,0.050).
atm(m3,a54,h,h,-0.393,7.855,-3.536,0.054).
atm(m3,a55,h,h,-1.778,6.098,-4.719,0.054).
atm(m3,a56,h,h,-2.983,6.178,-3.431,0.051).
atm(m3,a57,h,h,-3.339,8.638,-3.916,0.050).
atm(m3,a58,h,h,-2.133,8.559,-5.203,0.052).
atm(m3,a59,h,h,-3.515,6.800,-6.390,0.052).
atm(m3,a60,h,h,-4.720,6.878,-5.103,0.051).
atm(m3,a61,h,h,-5.078,9.335,-5.587,0.048).
atm(m3,a62,h,h,-3.872,9.258,-6.873,0.049).
atm(m3,a63,h,h,-6.482,7.614,-6.799,0.038).
atm(m3,a64,h,h,-6.176,9.034,-7.810,0.037).
atm(m3,a65,h,h,-5.274,7.537,-8.087,0.038).
atm(m3,a66,h,h,4.573,3.805,-0.617,0.131).
bond(m3,a1,a2,1).
bond(m3,a1,a29,1).
bond(m3,a1,a30,1).
bond(m3,a1,a31,1).
bond(m3,a2,a3,1).
bond(m3,a2,a32,1).
bond(m3,a2,a33,1).
bond(m3,a3,a4,1).
bond(m3,a3,a34,1).
bond(m3,a3,a35,1).
bond(m3,a4,a5,1).
bond(m3,a4,a36,1).
bond(m3,a4,a37,1).
bond(m3,a5,a6,1).
bond(m3,a5,a38,1).
bond(m3,a5,a39,1).
bond(m3,a6,a7,1).
bond(m3,a6,a40,1).
bond(m3,a6,a41,1).
bond(m3,a7,a8,1).
bond(m3,a7,a42,1).
bond(m3,a7,a43,1).
bond(m3,a8,a9,1).
bond(m3,a8,a44,1).
bond(m3,a8,a45,1).
bond(m3,a9,a10,1).
bond(m3,a10,a11,2).
bond(m3,a10,a12,1).
bond(m3,a12,a13,ar).
bond(m3,a12,a28,ar).
bond(m3,a13,a14,ar).
bond(m3,a13,a46,1).
bond(m3,a14,a15,ar).
bond(m3,a14,a47,1).
bond(m3,a15,a16,ar).
bond(m3,a15,a48,1).
bond(m3,a16,a17,1).
bond(m3,a16,a28,ar).
bond(m3,a17,a18,2).
bond(m3,a17,a19,1).
bond(m3,a19,a20,1).
bond(m3,a20,a21,1).
bond(m3,a20,a49,1).
bond(m3,a20,a50,1).
bond(m3,a21,a22,1).
bond(m3,a21,a51,1).
bond(m3,a21,a52,1).
bond(m3,a22,a23,1).
bond(m3,a22,a53,1).
bond(m3,a22,a54,1).
bond(m3,a23,a24,1).
bond(m3,a23,a55,1).
bond(m3,a23,a56,1).
bond(m3,a24,a25,1).
bond(m3,a24,a57,1).
bond(m3,a24,a58,1).
bond(m3,a25,a26,1).
bond(m3,a25,a59,1).
bond(m3,a25,a60,1).
bond(m3,a26,a27,1).
bond(m3,a26,a61,1).
bond(m3,a26,a62,1).
bond(m3,a27,a63,1).
bond(m3,a27,a64,1).
bond(m3,a27,a65,1).
bond(m3,a28,a66,1).
atm(m400,a1,o,o3,0.000,2.428,0.000,-0.299).
atm(m400,a2,c,c3,1.397,2.356,0.050,0.032).
atm(m400,a3,c,c3,1.903,1.019,0.615,-0.120).
atm(m400,a4,n,n3,3.375,0.922,0.769,-0.065).
atm(m400,a5,c,c3,3.951,1.992,1.636,-0.120).
atm(m400,a6,c,c3,5.345,2.425,1.179,0.059).
atm(m400,a7,o,o3,6.156,1.347,0.771,-0.257).
atm(m400,a8,c,c3,5.600,0.553,-0.264,0.058).
atm(m400,a9,c,c3,4.105,0.755,-0.516,-0.103).
atm(m400,a10,h,h,-0.325,2.303,0.883,0.184).
atm(m400,a11,h,h,1.688,2.503,-1.005,0.060).
atm(m400,a12,h,h,1.819,3.204,0.638,0.033).
atm(m400,a13,h,h,1.476,0.840,1.623,0.060).
atm(m400,a14,h,h,1.570,0.173,-0.019,0.072).
atm(m400,a15,h,h,3.979,1.567,2.658,0.068).
atm(m400,a16,h,h,3.282,2.884,1.676,0.052).
atm(m400,a17,h,h,5.929,2.859,2.007,0.061).
atm(m400,a18,h,h,5.288,3.178,0.368,0.030).
atm(m400,a19,h,h,5.837,-0.479,0.051,0.055).
atm(m400,a20,h,h,6.178,0.769,-1.181,0.036).
atm(m400,a21,h,h,3.937,1.617,-1.198,0.039).
atm(m400,a22,h,h,3.690,-0.134,-1.030,0.066).
bond(m400,a1,a2,1).
bond(m400,a1,a10,1).
bond(m400,a2,a3,1).
bond(m400,a2,a11,1).
bond(m400,a2,a12,1).
bond(m400,a3,a4,1).
bond(m400,a3,a13,1).
bond(m400,a3,a14,1).
bond(m400,a4,a5,1).
bond(m400,a4,a9,1).
bond(m400,a5,a6,1).
bond(m400,a5,a15,1).
bond(m400,a5,a16,1).
bond(m400,a6,a7,1).
bond(m400,a6,a17,1).
bond(m400,a6,a18,1).
bond(m400,a7,a8,1).
bond(m400,a8,a9,1).
bond(m400,a8,a19,1).
bond(m400,a8,a20,1).
bond(m400,a9,a21,1).
bond(m400,a9,a22,1).
atm(m401,a1,cl,cl,0.000,2.424,0.000,-0.060).
atm(m401,a2,c,c3,0.890,0.886,-0.001,-0.024).
atm(m401,a3,c,car,2.367,1.069,-0.001,-0.103).
atm(m401,a4,c,car,2.974,2.324,0.001,-0.088).
atm(m401,a5,c,car,4.359,2.429,0.001,-0.093).
atm(m401,a6,c,car,5.160,1.284,-0.001,-0.103).
atm(m401,a7,c,c3,6.636,1.468,-0.001,-0.024).
atm(m401,a8,cl,cl,7.527,-0.070,-0.005,-0.060).
atm(m401,a9,c,car,4.552,0.030,-0.003,-0.088).
atm(m401,a10,c,car,3.167,-0.075,-0.003,-0.093).
atm(m401,a11,h,h,0.576,0.312,0.891,0.069).
atm(m401,a12,h,h,0.575,0.312,-0.892,0.069).
atm(m401,a13,h,h,2.361,3.235,0.002,0.123).
atm(m401,a14,h,h,4.827,3.421,0.002,0.107).
atm(m401,a15,h,h,6.951,2.044,-0.891,0.069).
atm(m401,a16,h,h,6.951,2.039,0.892,0.069).
atm(m401,a17,h,h,5.165,-0.881,-0.005,0.123).
atm(m401,a18,h,h,2.699,-1.067,-0.004,0.107).
bond(m401,a1,a2,1).
bond(m401,a2,a3,1).
bond(m401,a2,a11,1).
bond(m401,a2,a12,1).
bond(m401,a3,a4,ar).
bond(m401,a3,a10,ar).
bond(m401,a4,a5,ar).
bond(m401,a4,a13,1).
bond(m401,a5,a6,ar).
bond(m401,a5,a14,1).
bond(m401,a6,a7,1).
bond(m401,a6,a9,ar).
bond(m401,a7,a8,1).
bond(m401,a7,a15,1).
bond(m401,a7,a16,1).
bond(m401,a9,a10,ar).
bond(m401,a9,a17,1).
bond(m401,a10,a18,1).
atm(m402,a1,i,i,0.000,1.210,0.000,0.578).
atm(m402,a2,c,car,1.400,1.210,0.000,-0.657).
atm(m402,a3,c,car,2.100,2.425,0.000,-0.061).
atm(m402,a4,c,car,3.500,2.425,0.000,-0.062).
atm(m402,a5,c,car,4.200,1.210,0.000,-0.656).
atm(m402,a6,i,i,5.600,1.210,0.000,0.578).
atm(m402,a7,c,car,3.500,0.000,0.000,-0.061).
atm(m402,a8,c,car,2.100,0.000,0.000,-0.060).
atm(m402,a9,h,h,1.554,3.368,0.000,0.101).
atm(m402,a10,h,h,4.045,3.368,0.000,0.101).
atm(m402,a11,h,h,4.044,-0.944,0.000,0.100).
atm(m402,a12,h,h,1.556,-0.944,0.000,0.100).
bond(m402,a1,a2,1).
bond(m402,a2,a3,ar).
bond(m402,a2,a8,ar).
bond(m402,a3,a4,ar).
bond(m402,a3,a9,1).
bond(m402,a4,a5,ar).
bond(m402,a4,a10,1).
bond(m402,a5,a6,1).
bond(m402,a5,a7,ar).
bond(m402,a7,a8,ar).
bond(m402,a7,a11,1).
bond(m402,a8,a12,1).
atm(m403,a1,o,o3,2.464,0.389,0.000,-0.060).
atm(m403,a2,c,car,1.152,0.835,0.001,-0.046).
atm(m403,a3,c,c3,0.082,-0.179,-0.003,-0.035).
atm(m403,a4,c,car,1.116,2.210,0.007,-0.177).
atm(m403,a5,c,car,2.484,2.655,0.009,-0.173).
atm(m403,a6,c,car,3.263,1.522,0.005,-0.050).
atm(m403,a7,c,c3,4.724,1.330,0.005,-0.034).
atm(m403,a8,h,h,0.473,-1.205,-0.006,0.055).
atm(m403,a9,h,h,-0.556,-0.065,0.883,0.051).
atm(m403,a10,h,h,-0.554,-0.059,-0.891,0.051).
atm(m403,a11,h,h,0.238,2.850,0.009,0.132).
atm(m403,a12,h,h,2.818,3.688,0.014,0.131).
atm(m403,a13,h,h,5.233,2.301,0.009,0.051).
atm(m403,a14,h,h,5.054,0.769,0.890,0.052).
atm(m403,a15,h,h,5.055,0.776,-0.884,0.052).
bond(m403,a1,a2,ar).
bond(m403,a1,a6,ar).
bond(m403,a2,a3,1).
bond(m403,a2,a4,ar).
bond(m403,a3,a8,1).
bond(m403,a3,a9,1).
bond(m403,a3,a10,1).
bond(m403,a4,a5,ar).
bond(m403,a4,a11,1).
bond(m403,a5,a6,ar).
bond(m403,a5,a12,1).
bond(m403,a6,a7,1).
bond(m403,a7,a13,1).
bond(m403,a7,a14,1).
bond(m403,a7,a15,1).
atm(m404,a1,cl,cl,0.000,0.000,0.000,-0.070).
atm(m404,a2,c,c3,1.540,0.890,0.000,-0.071).
atm(m404,a3,c,c3,2.677,-0.105,0.001,-0.123).
atm(m404,a4,c,c3,4.022,0.603,0.000,-0.095).
atm(m404,a5,c,c3,5.166,-0.398,0.001,-0.123).
atm(m404,a6,c,c3,6.503,0.307,0.001,-0.071).
atm(m404,a7,cl,cl,7.795,-0.917,0.004,-0.070).
atm(m404,a8,h,h,1.564,1.544,-0.890,0.062).
atm(m404,a9,h,h,1.564,1.545,0.889,0.062).
atm(m404,a10,h,h,2.594,-0.771,0.884,0.067).
atm(m404,a11,h,h,2.594,-0.772,-0.882,0.067).
atm(m404,a12,h,h,4.101,1.267,-0.884,0.053).
atm(m404,a13,h,h,4.100,1.269,0.883,0.053).
atm(m404,a14,h,h,5.092,-1.064,0.885,0.067).
atm(m404,a15,h,h,5.092,-1.066,-0.881,0.067).
atm(m404,a16,h,h,6.632,0.947,-0.890,0.062).
atm(m404,a17,h,h,6.631,0.950,0.889,0.062).
bond(m404,a1,a2,1).
bond(m404,a2,a3,1).
bond(m404,a2,a8,1).
bond(m404,a2,a9,1).
bond(m404,a3,a4,1).
bond(m404,a3,a10,1).
bond(m404,a3,a11,1).
bond(m404,a4,a5,1).
bond(m404,a4,a12,1).
bond(m404,a4,a13,1).
bond(m404,a5,a6,1).
bond(m404,a5,a14,1).
bond(m404,a5,a15,1).
bond(m404,a6,a7,1).
bond(m404,a6,a16,1).
bond(m404,a6,a17,1).
atm(m405,a1,br,br,8.493,0.696,0.000,-0.139).
atm(m405,a2,c,c3,6.795,-0.275,0.004,-0.032).
atm(m405,a3,c,c3,5.755,0.803,-0.006,-0.130).
atm(m405,a4,c,c3,4.352,0.215,-0.002,-0.097).
atm(m405,a5,c,c3,3.299,1.311,-0.013,-0.102).
atm(m405,a6,c,c3,1.895,0.726,-0.008,-0.101).
atm(m405,a7,c,c3,0.840,1.821,-0.020,-0.097).
atm(m405,a8,c,c3,-0.569,1.257,-0.014,-0.111).
atm(m405,a9,h,h,6.779,-0.922,-0.886,0.069).
atm(m405,a10,h,h,6.776,-0.908,0.905,0.069).
atm(m405,a11,h,h,5.899,1.466,0.871,0.072).
atm(m405,a12,h,h,5.900,1.451,-0.894,0.072).
atm(m405,a13,h,h,4.218,-0.449,-0.879,0.052).
atm(m405,a14,h,h,4.216,-0.433,0.888,0.052).
atm(m405,a15,h,h,3.436,1.977,0.863,0.054).
atm(m405,a16,h,h,3.437,1.959,-0.902,0.054).
atm(m405,a17,h,h,1.760,0.060,-0.884,0.051).
atm(m405,a18,h,h,1.759,0.078,0.881,0.051).
atm(m405,a19,h,h,0.989,2.487,0.854,0.048).
atm(m405,a20,h,h,0.989,2.469,-0.906,0.048).
atm(m405,a21,h,h,-0.582,0.158,-0.004,0.041).
atm(m405,a22,h,h,-1.137,1.590,0.864,0.037).
atm(m405,a23,h,h,-1.136,1.572,-0.900,0.037).
bond(m405,a1,a2,1).
bond(m405,a2,a3,1).
bond(m405,a2,a9,1).
bond(m405,a2,a10,1).
bond(m405,a3,a4,1).
bond(m405,a3,a11,1).
bond(m405,a3,a12,1).
bond(m405,a4,a5,1).
bond(m405,a4,a13,1).
bond(m405,a4,a14,1).
bond(m405,a5,a6,1).
bond(m405,a5,a15,1).
bond(m405,a5,a16,1).
bond(m405,a6,a7,1).
bond(m405,a6,a17,1).
bond(m405,a6,a18,1).
bond(m405,a7,a8,1).
bond(m405,a7,a19,1).
bond(m405,a7,a20,1).
bond(m405,a8,a21,1).
bond(m405,a8,a22,1).
bond(m405,a8,a23,1).
atm(m406,a1,c,c3,8.493,0.696,0.000,-0.114).
atm(m406,a2,c,c3,7.183,-0.061,0.000,-0.079).
atm(m406,a3,c,c3,5.999,0.887,0.002,-0.260).
atm(m406,a4,s,s3,4.398,0.059,0.002,0.055).
atm(m406,a5,s,s3,2.743,0.534,0.001,0.053).
atm(m406,a6,c,c3,1.141,-0.294,0.002,-0.259).
atm(m406,a7,c,c3,-0.042,0.656,0.003,-0.079).
atm(m406,a8,c,c3,-1.368,-0.086,0.003,-0.116).
atm(m406,a9,h,h,9.349,0.009,-0.003,0.040).
atm(m406,a10,h,h,8.589,1.342,-0.883,0.037).
atm(m406,a11,h,h,8.591,1.339,0.885,0.037).
atm(m406,a12,h,h,7.133,-0.728,-0.883,0.056).
atm(m406,a13,h,h,7.134,-0.730,0.882,0.056).
atm(m406,a14,h,h,6.051,1.557,0.883,0.087).
atm(m406,a15,h,h,6.050,1.558,-0.879,0.087).
atm(m406,a16,h,h,1.090,-0.964,-0.878,0.087).
atm(m406,a17,h,h,1.091,-0.964,0.883,0.086).
atm(m406,a18,h,h,0.020,1.326,0.884,0.055).
atm(m406,a19,h,h,0.020,1.327,-0.877,0.055).
atm(m406,a20,h,h,-1.240,-1.177,0.004,0.040).
atm(m406,a21,h,h,-1.972,0.164,0.884,0.037).
atm(m406,a22,h,h,-1.971,0.162,-0.880,0.037).
bond(m406,a1,a2,1).
bond(m406,a1,a9,1).
bond(m406,a1,a10,1).
bond(m406,a1,a11,1).
bond(m406,a2,a3,1).
bond(m406,a2,a12,1).
bond(m406,a2,a13,1).
bond(m406,a3,a4,1).
bond(m406,a3,a14,1).
bond(m406,a3,a15,1).
bond(m406,a4,a5,1).
bond(m406,a5,a6,1).
bond(m406,a6,a7,1).
bond(m406,a6,a16,1).
bond(m406,a6,a17,1).
bond(m406,a7,a8,1).
bond(m406,a7,a18,1).
bond(m406,a7,a19,1).
bond(m406,a8,a20,1).
bond(m406,a8,a21,1).
bond(m406,a8,a22,1).
atm(m407,a1,n,n1,10.926,2.098,0.000,-0.065).
atm(m407,a2,c,c1,9.919,1.525,0.000,-0.159).
atm(m407,a3,c,c3,8.662,0.805,-0.001,0.052).
atm(m407,a4,c,c3,7.479,1.765,0.001,-0.105).
atm(m407,a5,c,c3,6.166,0.998,0.000,-0.101).
atm(m407,a6,c,c3,4.978,1.947,0.002,-0.101).
atm(m407,a7,c,c3,3.665,1.179,0.001,-0.105).
atm(m407,a8,c,c3,2.482,2.140,0.004,0.052).
atm(m407,a9,c,c1,1.225,1.421,0.002,-0.159).
atm(m407,a10,n,n1,0.217,0.848,0.001,-0.065).
atm(m407,a11,h,h,8.635,0.143,-0.890,0.071).
atm(m407,a12,h,h,8.635,0.140,0.887,0.071).
atm(m407,a13,h,h,7.529,2.432,0.885,0.063).
atm(m407,a14,h,h,7.528,2.435,-0.881,0.063).
atm(m407,a15,h,h,6.117,0.331,-0.884,0.055).
atm(m407,a16,h,h,6.117,0.328,0.882,0.055).
atm(m407,a17,h,h,5.027,2.614,0.887,0.055).
atm(m407,a18,h,h,5.027,2.617,-0.879,0.055).
atm(m407,a19,h,h,3.615,0.514,-0.883,0.063).
atm(m407,a20,h,h,3.616,0.510,0.883,0.063).
atm(m407,a21,h,h,2.509,2.801,0.894,0.071).
atm(m407,a22,h,h,2.509,2.805,-0.883,0.071).
bond(m407,a1,a2,3).
bond(m407,a2,a3,1).
bond(m407,a3,a4,1).
bond(m407,a3,a11,1).
bond(m407,a3,a12,1).
bond(m407,a4,a5,1).
bond(m407,a4,a13,1).
bond(m407,a4,a14,1).
bond(m407,a5,a6,1).
bond(m407,a5,a15,1).
bond(m407,a5,a16,1).
bond(m407,a6,a7,1).
bond(m407,a6,a17,1).
bond(m407,a6,a18,1).
bond(m407,a7,a8,1).
bond(m407,a7,a19,1).
bond(m407,a7,a20,1).
bond(m407,a8,a9,1).
bond(m407,a8,a21,1).
bond(m407,a8,a22,1).
bond(m407,a9,a10,3).
atm(m408,a1,n,npl3,0.000,1.209,0.000,0.084).
atm(m408,a2,c,car,1.384,1.507,0.147,-0.062).
atm(m408,a3,c,car,1.886,2.766,-0.222,-0.179).
atm(m408,a4,cl,cl,0.851,3.997,-0.720,0.100).
atm(m408,a5,c,car,3.257,3.014,-0.175,-0.111).
atm(m408,a6,cl,cl,3.850,4.518,-0.616,0.117).
atm(m408,a7,c,car,4.132,2.011,0.238,-0.164).
atm(m408,a8,cl,cl,5.785,2.313,0.292,0.094).
atm(m408,a9,c,car,3.641,0.760,0.608,-0.058).
atm(m408,a10,c,car,2.279,0.508,0.566,-0.132).
atm(m408,a11,h,h,-0.569,2.023,0.083,0.041).
atm(m408,a12,h,h,-0.293,0.488,0.620,0.037).
atm(m408,a13,h,h,4.340,-0.020,0.931,0.117).
atm(m408,a14,h,h,1.906,-0.481,0.861,0.116).
bond(m408,a1,a2,1).
bond(m408,a1,a11,1).
bond(m408,a1,a12,1).
bond(m408,a2,a3,ar).
bond(m408,a2,a10,ar).
bond(m408,a3,a4,1).
bond(m408,a3,a5,ar).
bond(m408,a5,a6,1).
bond(m408,a5,a7,ar).
bond(m408,a7,a8,1).
bond(m408,a7,a9,ar).
bond(m408,a9,a10,ar).
bond(m408,a9,a13,1).
bond(m408,a10,a14,1).
atm(m409,a1,c,car,2.424,0.697,0.000,-0.230).
atm(m409,a2,c,c2,1.173,-0.104,0.000,0.333).
atm(m409,a3,o,o2,0.052,0.345,0.000,-0.297).
atm(m409,a4,c,car,2.478,2.104,0.000,0.171).
atm(m409,a5,o,o3,1.303,2.786,0.000,-0.192).
atm(m409,a6,c,car,3.717,2.776,0.000,-0.210).
atm(m409,a7,c,car,4.896,2.051,0.000,-0.026).
atm(m409,a8,c,car,4.846,0.657,0.000,-0.187).
atm(m409,a9,cl,cl,6.284,-0.225,0.000,0.073).
atm(m409,a10,c,car,3.630,-0.013,0.000,-0.024).
atm(m409,a11,h,h,1.320,-1.199,0.000,0.042).
atm(m409,a12,h,h,1.497,3.716,0.000,0.198).
atm(m409,a13,h,h,3.754,3.872,0.000,0.117).
atm(m409,a14,h,h,5.865,2.562,0.000,0.116).
atm(m409,a15,h,h,3.620,-1.111,0.000,0.117).
bond(m409,a1,a2,1).
bond(m409,a1,a4,ar).
bond(m409,a1,a10,ar).
bond(m409,a2,a3,2).
bond(m409,a2,a11,1).
bond(m409,a4,a5,1).
bond(m409,a4,a6,ar).
bond(m409,a5,a12,1).
bond(m409,a6,a7,ar).
bond(m409,a6,a13,1).
bond(m409,a7,a8,ar).
bond(m409,a7,a14,1).
bond(m409,a8,a9,1).
bond(m409,a8,a10,ar).
bond(m409,a10,a15,1).
atm(m40,a1,c,car,7.279,0.699,0.000,-0.239).
atm(m40,a2,c,c2,8.521,-0.108,0.046,0.332).
atm(m40,a3,o,o2,9.635,0.365,0.008,-0.321).
atm(m40,a4,c,car,6.047,0.042,0.046,-0.017).
atm(m40,a5,c,car,4.861,0.761,0.005,-0.194).
atm(m40,a6,c,car,4.912,2.157,-0.082,0.119).
atm(m40,a7,o,o3,3.811,2.990,-0.098,-0.131).
atm(m40,a8,c,car,2.563,2.378,-0.220,0.041).
atm(m40,a9,c,car,2.145,1.839,-1.441,-0.119).
atm(m40,a10,c,car,0.844,1.365,-1.555,-0.088).
atm(m40,a11,c,car,-0.026,1.429,-0.470,-0.105).
atm(m40,a12,c,car,0.400,1.970,0.739,-0.089).
atm(m40,a13,c,car,1.699,2.447,0.877,-0.107).
atm(m40,a14,c,car,6.143,2.830,-0.129,-0.161).
atm(m40,a15,c,car,7.318,2.093,-0.087,-0.001).
atm(m40,a16,h,h,8.390,-1.201,0.119,0.043).
atm(m40,a17,h,h,6.013,-1.052,0.116,0.103).
atm(m40,a18,h,h,3.896,0.240,0.040,0.127).
atm(m40,a19,h,h,2.831,1.796,-2.295,0.120).
atm(m40,a20,h,h,0.502,0.942,-2.506,0.106).
atm(m40,a21,h,h,-1.050,1.055,-0.569,0.107).
atm(m40,a22,h,h,-0.289,2.021,1.588,0.106).
atm(m40,a23,h,h,2.037,2.880,1.826,0.121).
atm(m40,a24,h,h,6.177,3.924,-0.196,0.126).
atm(m40,a25,h,h,8.286,2.608,-0.123,0.120).
bond(m40,a1,a2,1).
bond(m40,a1,a4,ar).
bond(m40,a1,a15,ar).
bond(m40,a2,a3,2).
bond(m40,a2,a16,1).
bond(m40,a4,a5,ar).
bond(m40,a4,a17,1).
bond(m40,a5,a6,ar).
bond(m40,a5,a18,1).
bond(m40,a6,a7,1).
bond(m40,a6,a14,ar).
bond(m40,a7,a8,1).
bond(m40,a8,a9,ar).
bond(m40,a8,a13,ar).
bond(m40,a9,a10,ar).
bond(m40,a9,a19,1).
bond(m40,a10,a11,ar).
bond(m40,a10,a20,1).
bond(m40,a11,a12,ar).
bond(m40,a11,a21,1).
bond(m40,a12,a13,ar).
bond(m40,a12,a22,1).
bond(m40,a13,a23,1).
bond(m40,a14,a15,ar).
bond(m40,a14,a24,1).
bond(m40,a15,a25,1).
atm(m410,a1,o,o3,7.692,1.208,0.000,-0.228).
atm(m410,a2,c,car,6.326,1.286,0.048,0.092).
atm(m410,a3,c,car,5.628,0.124,-0.308,-0.140).
atm(m410,a4,c,car,4.240,0.136,-0.282,-0.064).
atm(m410,a5,c,car,3.543,1.287,0.091,-0.116).
atm(m410,a6,c,c3,2.048,1.298,0.075,-0.048).
atm(m410,a7,c,c3,1.454,2.073,1.243,-0.105).
atm(m410,a8,c,c3,-0.041,2.233,1.100,-0.108).
atm(m410,a9,c,car,4.253,2.434,0.448,-0.068).
atm(m410,a10,c,car,5.641,2.447,0.430,-0.188).
atm(m410,a11,h,h,8.040,2.051,0.262,0.196).
atm(m410,a12,h,h,6.171,-0.780,-0.601,0.121).
atm(m410,a13,h,h,3.688,-0.770,-0.558,0.104).
atm(m410,a14,h,h,1.714,1.743,-0.885,0.056).
atm(m410,a15,h,h,1.655,0.261,0.075,0.054).
atm(m410,a16,h,h,1.694,1.560,2.195,0.053).
atm(m410,a17,h,h,1.949,3.068,1.310,0.054).
atm(m410,a18,h,h,-0.549,1.260,1.051,0.038).
atm(m410,a19,h,h,-0.306,2.784,0.187,0.038).
atm(m410,a20,h,h,-0.466,2.782,1.949,0.038).
atm(m410,a21,h,h,3.687,3.326,0.758,0.111).
atm(m410,a22,h,h,6.183,3.356,0.712,0.110).
bond(m410,a1,a2,1).
bond(m410,a1,a11,1).
bond(m410,a2,a3,ar).
bond(m410,a2,a10,ar).
bond(m410,a3,a4,ar).
bond(m410,a3,a12,1).
bond(m410,a4,a5,ar).
bond(m410,a4,a13,1).
bond(m410,a5,a6,1).
bond(m410,a5,a9,ar).
bond(m410,a6,a7,1).
bond(m410,a6,a14,1).
bond(m410,a6,a15,1).
bond(m410,a7,a8,1).
bond(m410,a7,a16,1).
bond(m410,a7,a17,1).
bond(m410,a8,a18,1).
bond(m410,a8,a19,1).
bond(m410,a8,a20,1).
bond(m410,a9,a10,ar).
bond(m410,a9,a21,1).
bond(m410,a10,a22,1).
atm(m411,a1,c,car,2.100,2.428,0.000,-0.230).
atm(m411,a2,c,c2,0.607,2.405,0.000,0.327).
atm(m411,a3,o,o2,-0.069,3.403,0.000,-0.273).
atm(m411,a4,c,car,2.834,3.627,0.000,0.150).
atm(m411,a5,f,f,2.219,4.811,-0.001,-0.050).
atm(m411,a6,c,car,4.248,3.619,0.000,0.005).
atm(m411,a7,f,f,4.925,4.771,-0.001,-0.052).
atm(m411,a8,c,car,4.945,2.398,0.000,0.089).
atm(m411,a9,f,f,6.278,2.384,0.001,-0.049).
atm(m411,a10,c,car,4.222,1.190,0.001,0.008).
atm(m411,a11,f,f,4.875,0.024,0.001,-0.053).
atm(m411,a12,c,car,2.813,1.214,0.001,0.119).
atm(m411,a13,f,f,2.167,0.043,0.001,-0.063).
atm(m411,a14,h,h,0.131,1.411,0.000,0.073).
bond(m411,a1,a2,1).
bond(m411,a1,a4,ar).
bond(m411,a1,a12,ar).
bond(m411,a2,a3,2).
bond(m411,a2,a14,1).
bond(m411,a4,a5,1).
bond(m411,a4,a6,ar).
bond(m411,a6,a7,1).
bond(m411,a6,a8,ar).
bond(m411,a8,a9,1).
bond(m411,a8,a10,ar).
bond(m411,a10,a11,1).
bond(m411,a10,a12,ar).
bond(m411,a12,a13,1).
atm(m412,a1,c,c3,2.098,2.425,0.000,-0.136).
atm(m412,a2,cl,cl,3.544,2.856,-0.910,0.024).
atm(m412,a3,cl,cl,1.038,3.842,0.012,-0.008).
atm(m412,a4,c,c2,1.393,1.270,-0.683,0.188).
atm(m412,a5,o,o2,1.292,0.162,-0.179,-0.336).
atm(m412,a6,n,nam,0.923,1.473,-1.998,0.023).
atm(m412,a7,h,h,2.379,2.170,1.047,0.120).
atm(m412,a8,h,h,0.672,2.413,-2.205,0.057).
atm(m412,a9,h,h,0.276,0.798,-2.336,0.068).
bond(m412,a1,a2,1).
bond(m412,a1,a3,1).
bond(m412,a1,a4,1).
bond(m412,a1,a7,1).
bond(m412,a4,a5,2).
bond(m412,a4,a6,1).
bond(m412,a6,a8,1).
bond(m412,a6,a9,1).
atm(m413,a1,c,c3,7.692,0.000,0.000,-0.109).
atm(m413,a2,c,c3,6.201,-0.231,0.083,-0.098).
atm(m413,a3,c,c3,5.433,1.081,0.074,-0.102).
atm(m413,a4,c,c3,3.933,0.846,0.156,-0.116).
atm(m413,a5,c,c3,3.166,2.159,0.142,-0.105).
atm(m413,a6,c,c3,1.657,1.974,0.256,-0.098).
atm(m413,a7,c,c3,0.913,1.757,-1.069,-0.081).
atm(m413,a8,c,c3,1.202,0.380,-1.660,-0.155).
atm(m413,a9,n,n3,1.177,2.874,-2.014,-0.052).
atm(m413,a10,h,h,8.057,0.599,0.845,0.038).
atm(m413,a11,h,h,8.244,-0.949,0.008,0.037).
atm(m413,a12,h,h,7.969,0.533,-0.920,0.038).
atm(m413,a13,h,h,5.868,-0.868,-0.761,0.047).
atm(m413,a14,h,h,5.957,-0.803,1.001,0.049).
atm(m413,a15,h,h,5.764,1.718,0.919,0.052).
atm(m413,a16,h,h,5.677,1.655,-0.843,0.050).
atm(m413,a17,h,h,3.600,0.208,-0.693,0.059).
atm(m413,a18,h,h,3.690,0.272,1.072,0.053).
atm(m413,a19,h,h,3.516,2.792,0.982,0.052).
atm(m413,a20,h,h,3.415,2.731,-0.780,0.056).
atm(m413,a21,h,h,1.431,1.124,0.932,0.055).
atm(m413,a22,h,h,1.231,2.869,0.752,0.059).
atm(m413,a23,h,h,-0.184,1.818,-0.857,0.067).
atm(m413,a24,h,h,0.866,-0.413,-0.979,0.048).
atm(m413,a25,h,h,0.688,0.224,-2.618,0.043).
atm(m413,a26,h,h,2.281,0.220,-1.829,0.052).
atm(m413,a27,h,h,0.842,2.631,-2.922,0.030).
atm(m413,a28,h,h,2.165,3.042,-2.059,0.032).
bond(m413,a1,a2,1).
bond(m413,a1,a10,1).
bond(m413,a1,a11,1).
bond(m413,a1,a12,1).
bond(m413,a2,a3,1).
bond(m413,a2,a13,1).
bond(m413,a2,a14,1).
bond(m413,a3,a4,1).
bond(m413,a3,a15,1).
bond(m413,a3,a16,1).
bond(m413,a4,a5,1).
bond(m413,a4,a17,1).
bond(m413,a4,a18,1).
bond(m413,a5,a6,1).
bond(m413,a5,a19,1).
bond(m413,a5,a20,1).
bond(m413,a6,a7,1).
bond(m413,a6,a21,1).
bond(m413,a6,a22,1).
bond(m413,a7,a8,1).
bond(m413,a7,a9,1).
bond(m413,a7,a23,1).
bond(m413,a8,a24,1).
bond(m413,a8,a25,1).
bond(m413,a8,a26,1).
bond(m413,a9,a27,1).
bond(m413,a9,a28,1).
atm(m414,a1,c,c3,7.279,2.805,0.000,-0.180).
atm(m414,a2,c,c2,8.579,2.250,-0.513,0.277).
atm(m414,a3,o,o2,9.631,2.847,-0.388,-0.313).
atm(m414,a4,c,c3,8.505,0.899,-1.202,-0.154).
atm(m414,a5,c,c3,8.653,-0.247,-0.211,-0.089).
atm(m414,a6,c,c3,7.356,-0.556,0.521,-0.115).
atm(m414,a7,c,c3,7.557,-1.637,1.570,-0.101).
atm(m414,a8,c,c3,6.257,-1.957,2.290,-0.101).
atm(m414,a9,c,c3,6.459,-3.035,3.342,-0.103).
atm(m414,a10,c,c3,5.160,-3.358,4.062,-0.097).
atm(m414,a11,c,c3,5.359,-4.430,5.109,-0.109).
atm(m414,a12,h,h,7.404,3.736,0.567,0.068).
atm(m414,a13,h,h,6.595,3.009,-0.834,0.063).
atm(m414,a14,h,h,6.791,2.067,0.659,0.071).
atm(m414,a15,h,h,7.548,0.815,-1.753,0.065).
atm(m414,a16,h,h,9.302,0.826,-1.968,0.074).
atm(m414,a17,h,h,8.993,-1.154,-0.751,0.054).
atm(m414,a18,h,h,9.458,-0.018,0.517,0.062).
atm(m414,a19,h,h,6.958,0.370,0.996,0.056).
atm(m414,a20,h,h,6.578,-0.871,-0.204,0.052).
atm(m414,a21,h,h,7.963,-2.553,1.095,0.053).
atm(m414,a22,h,h,8.326,-1.316,2.302,0.054).
atm(m414,a23,h,h,5.850,-1.040,2.761,0.050).
atm(m414,a24,h,h,5.489,-2.281,1.559,0.051).
atm(m414,a25,h,h,6.867,-3.952,2.871,0.052).
atm(m414,a26,h,h,7.227,-2.712,4.074,0.052).
atm(m414,a27,h,h,4.753,-2.440,4.532,0.048).
atm(m414,a28,h,h,4.393,-3.681,3.330,0.048).
atm(m414,a29,h,h,6.087,-4.122,5.872,0.038).
atm(m414,a30,h,h,4.420,-4.660,5.628,0.037).
atm(m414,a31,h,h,5.727,-5.365,4.667,0.038).
bond(m414,a1,a2,1).
bond(m414,a1,a12,1).
bond(m414,a1,a13,1).
bond(m414,a1,a14,1).
bond(m414,a2,a3,2).
bond(m414,a2,a4,1).
bond(m414,a4,a5,1).
bond(m414,a4,a15,1).
bond(m414,a4,a16,1).
bond(m414,a5,a6,1).
bond(m414,a5,a17,1).
bond(m414,a5,a18,1).
bond(m414,a6,a7,1).
bond(m414,a6,a19,1).
bond(m414,a6,a20,1).
bond(m414,a7,a8,1).
bond(m414,a7,a21,1).
bond(m414,a7,a22,1).
bond(m414,a8,a9,1).
bond(m414,a8,a23,1).
bond(m414,a8,a24,1).
bond(m414,a9,a10,1).
bond(m414,a9,a25,1).
bond(m414,a9,a26,1).
bond(m414,a10,a11,1).
bond(m414,a10,a27,1).
bond(m414,a10,a28,1).
bond(m414,a11,a29,1).
bond(m414,a11,a30,1).
bond(m414,a11,a31,1).
atm(m415,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m415,a2,c,c3,1.296,0.685,-0.370,-0.098).
atm(m415,a3,c,c3,2.461,0.153,0.449,-0.100).
atm(m415,a4,c,c3,3.761,0.845,0.074,-0.114).
atm(m415,a5,c,c3,4.916,0.296,0.908,0.062).
atm(m415,a6,o,o3,6.086,0.988,0.500,-0.267).
atm(m415,a7,c,c3,7.249,0.573,1.200,0.062).
atm(m415,a8,c,c3,8.414,1.396,0.655,-0.114).
atm(m415,a9,c,c3,9.707,1.013,1.357,-0.100).
atm(m415,a10,c,c3,10.881,1.822,0.829,-0.098).
atm(m415,a11,c,c3,12.170,1.445,1.524,-0.109).
atm(m415,a12,h,h,0.051,-1.084,-0.171,0.038).
atm(m415,a13,h,h,-0.250,0.151,1.059,0.038).
atm(m415,a14,h,h,-0.839,0.386,-0.594,0.038).
atm(m415,a15,h,h,1.502,0.547,-1.451,0.050).
atm(m415,a16,h,h,1.201,1.780,-0.224,0.050).
atm(m415,a17,h,h,2.255,0.291,1.530,0.050).
atm(m415,a18,h,h,2.556,-0.942,0.303,0.050).
atm(m415,a19,h,h,3.968,0.708,-1.006,0.062).
atm(m415,a20,h,h,3.667,1.940,0.221,0.062).
atm(m415,a21,h,h,4.738,0.453,1.991,0.028).
atm(m415,a22,h,h,5.041,-0.794,0.751,0.028).
atm(m415,a23,h,h,7.118,0.736,2.289,0.028).
atm(m415,a24,h,h,7.420,-0.511,1.049,0.028).
atm(m415,a25,h,h,8.514,1.244,-0.438,0.062).
atm(m415,a26,h,h,8.215,2.479,0.787,0.062).
atm(m415,a27,h,h,9.606,1.166,2.450,0.050).
atm(m415,a28,h,h,9.905,-0.069,1.225,0.050).
atm(m415,a29,h,h,10.982,1.669,-0.264,0.050).
atm(m415,a30,h,h,10.683,2.904,0.960,0.050).
atm(m415,a31,h,h,13.015,2.030,1.140,0.038).
atm(m415,a32,h,h,12.113,1.622,2.606,0.038).
atm(m415,a33,h,h,12.413,0.384,1.380,0.038).
bond(m415,a1,a2,1).
bond(m415,a1,a12,1).
bond(m415,a1,a13,1).
bond(m415,a1,a14,1).
bond(m415,a2,a3,1).
bond(m415,a2,a15,1).
bond(m415,a2,a16,1).
bond(m415,a3,a4,1).
bond(m415,a3,a17,1).
bond(m415,a3,a18,1).
bond(m415,a4,a5,1).
bond(m415,a4,a19,1).
bond(m415,a4,a20,1).
bond(m415,a5,a6,1).
bond(m415,a5,a21,1).
bond(m415,a5,a22,1).
bond(m415,a6,a7,1).
bond(m415,a7,a8,1).
bond(m415,a7,a23,1).
bond(m415,a7,a24,1).
bond(m415,a8,a9,1).
bond(m415,a8,a25,1).
bond(m415,a8,a26,1).
bond(m415,a9,a10,1).
bond(m415,a9,a27,1).
bond(m415,a9,a28,1).
bond(m415,a10,a11,1).
bond(m415,a10,a29,1).
bond(m415,a10,a30,1).
bond(m415,a11,a31,1).
bond(m415,a11,a32,1).
bond(m415,a11,a33,1).
atm(m416,a1,c,c3,0.000,1.133,0.000,-0.024).
atm(m416,a2,c,car,1.468,1.102,0.086,-0.130).
atm(m416,a3,c,car,2.387,2.118,0.030,-0.093).
atm(m416,a4,o,o3,3.651,1.577,0.159,-0.095).
atm(m416,a5,c,car,3.495,0.221,0.295,-0.016).
atm(m416,a6,n,nar,2.211,-0.100,0.257,-0.123).
atm(m416,a7,h,h,-0.459,0.722,0.909,0.055).
atm(m416,a8,h,h,-0.360,0.539,-0.851,0.055).
atm(m416,a9,h,h,-0.363,2.161,-0.128,0.040).
atm(m416,a10,h,h,2.340,3.196,-0.088,0.160).
atm(m416,a11,h,h,4.382,-0.402,0.412,0.171).
bond(m416,a1,a2,1).
bond(m416,a1,a7,1).
bond(m416,a1,a8,1).
bond(m416,a1,a9,1).
bond(m416,a2,a3,ar).
bond(m416,a2,a6,ar).
bond(m416,a3,a4,ar).
bond(m416,a3,a10,1).
bond(m416,a4,a5,ar).
bond(m416,a5,a6,ar).
bond(m416,a5,a11,1).
atm(m417,a1,c,c3,0.000,1.133,0.000,-0.022).
atm(m417,a2,c,car,1.475,1.115,0.094,-0.233).
atm(m417,a3,n,nar,2.308,2.174,-0.035,-0.114).
atm(m417,a4,c,car,3.619,1.735,0.121,-0.132).
atm(m417,a5,c,car,3.611,0.369,0.352,-0.332).
atm(m417,a6,n,npl3,2.263,-0.014,0.334,0.318).
atm(m417,a7,h,h,-0.463,0.784,0.933,0.042).
atm(m417,a8,h,h,-0.355,0.487,-0.814,0.042).
atm(m417,a9,h,h,-0.371,2.148,-0.195,0.071).
atm(m417,a10,h,h,4.460,2.422,0.056,0.141).
atm(m417,a11,h,h,4.437,-0.321,0.519,0.152).
atm(m417,a12,h,h,1.929,-0.933,0.469,0.069).
bond(m417,a1,a2,1).
bond(m417,a1,a7,1).
bond(m417,a1,a8,1).
bond(m417,a1,a9,1).
bond(m417,a2,a3,ar).
bond(m417,a2,a6,ar).
bond(m417,a3,a4,ar).
bond(m417,a4,a5,ar).
bond(m417,a4,a10,1).
bond(m417,a5,a6,ar).
bond(m417,a5,a11,1).
bond(m417,a6,a12,1).
atm(m418,a1,c,c3,2.960,1.038,0.959,-0.133).
atm(m418,a2,o,o2,1.138,1.960,-0.420,-0.295).
atm(m418,a3,c,c3,3.612,1.896,2.078,-0.066).
atm(m418,a4,c,c3,5.078,1.534,2.283,-0.092).
atm(m418,a5,c,c3,5.061,1.572,-0.253,-0.074).
atm(m418,a6,c,c3,4.391,2.884,-0.705,-0.082).
atm(m418,a7,c,c3,3.154,3.270,0.116,-0.134).
atm(m418,a8,c,c2,2.216,2.069,0.115,0.286).
atm(m418,a9,c,c3,5.902,1.751,1.015,-0.097).
atm(m418,a10,c,c3,3.480,3.364,1.610,-0.101).
atm(m418,a11,c,c3,4.021,0.477,0.007,-0.087).
atm(m418,a12,h,h,2.315,0.233,1.368,0.092).
atm(m418,a13,h,h,3.063,1.746,3.034,0.068).
atm(m418,a14,h,h,5.500,2.130,3.115,0.052).
atm(m418,a15,h,h,5.149,0.477,2.610,0.052).
atm(m418,a16,h,h,5.738,1.245,-1.078,0.064).
atm(m418,a17,h,h,4.094,2.790,-1.768,0.055).
atm(m418,a18,h,h,5.128,3.710,-0.666,0.057).
atm(m418,a19,h,h,2.701,4.204,-0.280,0.091).
atm(m418,a20,h,h,6.367,2.757,1.021,0.054).
atm(m418,a21,h,h,6.748,1.037,1.004,0.049).
atm(m418,a22,h,h,4.398,3.952,1.798,0.066).
atm(m418,a23,h,h,2.669,3.883,2.154,0.056).
atm(m418,a24,h,h,3.553,0.141,-0.938,0.060).
atm(m418,a25,h,h,4.505,-0.420,0.438,0.060).
bond(m418,a1,a8,1).
bond(m418,a1,a11,1).
bond(m418,a1,a3,1).
bond(m418,a1,a12,1).
bond(m418,a2,a8,2).
bond(m418,a3,a4,1).
bond(m418,a3,a10,1).
bond(m418,a3,a13,1).
bond(m418,a4,a9,1).
bond(m418,a4,a14,1).
bond(m418,a4,a15,1).
bond(m418,a5,a9,1).
bond(m418,a5,a6,1).
bond(m418,a5,a11,1).
bond(m418,a5,a16,1).
bond(m418,a6,a7,1).
bond(m418,a6,a17,1).
bond(m418,a6,a18,1).
bond(m418,a7,a8,1).
bond(m418,a7,a10,1).
bond(m418,a7,a19,1).
bond(m418,a9,a20,1).
bond(m418,a9,a21,1).
bond(m418,a10,a22,1).
bond(m418,a10,a23,1).
bond(m418,a11,a24,1).
bond(m418,a11,a25,1).
atm(m419,a1,c,c3,10.873,0.696,0.000,-0.109).
atm(m419,a2,c,c3,9.563,-0.059,-0.034,-0.098).
atm(m419,a3,c,c3,8.374,0.886,0.031,-0.103).
atm(m419,a4,c,c3,7.059,0.125,-0.005,-0.102).
atm(m419,a5,c,c3,5.871,1.072,0.062,-0.099).
atm(m419,a6,c,c3,4.558,0.307,0.026,-0.125).
atm(m419,a7,c,c3,3.361,1.259,0.094,0.067).
atm(m419,a8,o,o3,2.180,0.504,0.430,-0.238).
atm(m419,a9,c,c2,1.245,0.629,-0.563,0.360).
atm(m419,a10,o,o2,0.226,0.012,-0.367,-0.330).
atm(m419,a11,c,c3,1.701,1.533,-1.684,-0.130).
atm(m419,a12,c,c3,3.087,1.992,-1.239,-0.133).
atm(m419,a13,h,h,11.729,0.011,-0.046,0.038).
atm(m419,a14,h,h,10.962,1.390,-0.846,0.038).
atm(m419,a15,h,h,10.975,1.288,0.919,0.038).
atm(m419,a16,h,h,9.505,-0.675,-0.954,0.049).
atm(m419,a17,h,h,9.519,-0.779,0.808,0.050).
atm(m419,a18,h,h,8.431,1.501,0.951,0.052).
atm(m419,a19,h,h,8.418,1.607,-0.811,0.050).
atm(m419,a20,h,h,7.002,-0.490,-0.926,0.052).
atm(m419,a21,h,h,7.016,-0.596,0.836,0.055).
atm(m419,a22,h,h,5.929,1.686,0.984,0.054).
atm(m419,a23,h,h,5.915,1.793,-0.779,0.049).
atm(m419,a24,h,h,4.503,-0.320,-0.887,0.060).
atm(m419,a25,h,h,4.517,-0.405,0.876,0.073).
atm(m419,a26,h,h,3.484,1.972,0.941,0.072).
atm(m419,a27,h,h,0.998,2.374,-1.825,0.086).
atm(m419,a28,h,h,1.722,0.986,-2.644,0.086).
atm(m419,a29,h,h,3.858,1.758,-1.997,0.073).
atm(m419,a30,h,h,3.128,3.087,-1.101,0.065).
bond(m419,a1,a2,1).
bond(m419,a1,a13,1).
bond(m419,a1,a14,1).
bond(m419,a1,a15,1).
bond(m419,a2,a3,1).
bond(m419,a2,a16,1).
bond(m419,a2,a17,1).
bond(m419,a3,a4,1).
bond(m419,a3,a18,1).
bond(m419,a3,a19,1).
bond(m419,a4,a5,1).
bond(m419,a4,a20,1).
bond(m419,a4,a21,1).
bond(m419,a5,a6,1).
bond(m419,a5,a22,1).
bond(m419,a5,a23,1).
bond(m419,a6,a7,1).
bond(m419,a6,a24,1).
bond(m419,a6,a25,1).
bond(m419,a7,a8,1).
bond(m419,a7,a12,1).
bond(m419,a7,a26,1).
bond(m419,a8,a9,1).
bond(m419,a9,a10,2).
bond(m419,a9,a11,1).
bond(m419,a11,a12,1).
bond(m419,a11,a27,1).
bond(m419,a11,a28,1).
bond(m419,a12,a29,1).
bond(m419,a12,a30,1).
atm(m41,a1,c,c3,0.000,0.000,0.000,0.070).
atm(m41,a2,o,o3,1.393,-0.066,-0.033,-0.309).
atm(m41,a3,h,h,-0.390,-0.001,1.025,0.008).
atm(m41,a4,h,h,-0.329,-0.907,-0.515,0.041).
atm(m41,a5,h,h,-0.385,0.880,-0.529,0.009).
atm(m41,a6,h,h,1.725,0.707,0.406,0.181).
bond(m41,a1,a2,1).
bond(m41,a1,a3,1).
bond(m41,a1,a4,1).
bond(m41,a1,a5,1).
bond(m41,a2,a6,1).
atm(m420,a1,c,car,4.900,2.422,0.000,-0.362).
atm(m420,a2,c,c2,6.376,2.418,0.001,0.347).
atm(m420,a3,o,o2,7.095,3.390,0.002,-0.304).
atm(m420,a4,c,car,4.196,1.197,-0.003,0.222).
atm(m420,a5,o,o3,4.793,-0.029,-0.006,-0.231).
atm(m420,a6,c,car,2.798,1.139,-0.004,-0.301).
atm(m420,a7,c,car,2.075,2.333,-0.002,0.204).
atm(m420,a8,o,o3,0.705,2.428,-0.003,-0.189).
atm(m420,a9,c,c3,-0.057,1.240,-0.006,0.041).
atm(m420,a10,c,car,2.728,3.573,0.001,-0.302).
atm(m420,a11,c,car,4.126,3.610,0.002,0.230).
atm(m420,a12,o,o3,4.847,4.774,0.006,-0.158).
atm(m420,a13,c,c3,4.146,5.995,0.007,0.045).
atm(m420,a14,h,h,6.855,1.418,0.001,0.017).
atm(m420,a15,h,h,5.739,0.089,-0.004,0.208).
atm(m420,a16,h,h,2.279,0.167,-0.007,0.144).
atm(m420,a17,h,h,0.524,0.306,-0.007,0.048).
atm(m420,a18,h,h,-0.684,1.283,0.890,0.039).
atm(m420,a19,h,h,-0.681,1.286,-0.903,0.039).
atm(m420,a20,h,h,2.130,4.494,0.003,0.142).
atm(m420,a21,h,h,4.964,6.722,0.010,0.058).
atm(m420,a22,h,h,3.530,6.125,-0.890,0.031).
atm(m420,a23,h,h,3.528,6.121,0.904,0.031).
bond(m420,a1,a2,1).
bond(m420,a1,a4,ar).
bond(m420,a1,a11,ar).
bond(m420,a2,a3,2).
bond(m420,a2,a14,1).
bond(m420,a4,a5,1).
bond(m420,a4,a6,ar).
bond(m420,a5,a15,1).
bond(m420,a6,a7,ar).
bond(m420,a6,a16,1).
bond(m420,a7,a8,1).
bond(m420,a7,a10,ar).
bond(m420,a8,a9,1).
bond(m420,a9,a17,1).
bond(m420,a9,a18,1).
bond(m420,a9,a19,1).
bond(m420,a10,a11,ar).
bond(m420,a10,a20,1).
bond(m420,a11,a12,1).
bond(m420,a12,a13,1).
bond(m420,a13,a21,1).
bond(m420,a13,a22,1).
bond(m420,a13,a23,1).
atm(m421,a1,c,car,2.425,1.398,0.000,-0.111).
atm(m421,a2,c,car,1.220,2.088,0.000,-0.125).
atm(m421,a3,cl,cl,-0.225,1.243,-0.002,0.095).
atm(m421,a4,c,car,1.219,3.483,0.003,-0.148).
atm(m421,a5,cl,cl,-0.230,4.318,-0.003,0.095).
atm(m421,a6,c,car,2.432,4.168,0.016,-0.073).
atm(m421,a7,c,car,3.637,3.476,0.040,-0.135).
atm(m421,a8,c,car,3.658,2.077,0.068,-0.075).
atm(m421,a9,n,nam,4.896,1.315,0.074,0.040).
atm(m421,a10,c,c2,6.195,1.962,0.069,0.245).
atm(m421,a11,o,o2,6.276,3.187,0.022,-0.357).
atm(m421,a12,c,c3,7.432,1.073,0.113,-0.123).
atm(m421,a13,c,c3,7.223,-0.432,0.162,-0.107).
atm(m421,a14,h,h,2.414,0.301,0.001,0.118).
atm(m421,a15,h,h,2.437,5.264,0.008,0.118).
atm(m421,a16,h,h,4.602,4.020,0.036,0.170).
atm(m421,a17,h,h,4.859,0.672,0.836,0.071).
atm(m421,a18,h,h,8.030,1.309,-0.793,0.082).
atm(m421,a19,h,h,8.036,1.397,0.986,0.078).
atm(m421,a20,h,h,8.188,-0.954,0.184,0.051).
atm(m421,a21,h,h,6.662,-0.729,1.059,0.038).
atm(m421,a22,h,h,6.664,-0.784,-0.714,0.052).
bond(m421,a1,a2,ar).
bond(m421,a1,a8,ar).
bond(m421,a1,a14,1).
bond(m421,a2,a3,1).
bond(m421,a2,a4,ar).
bond(m421,a4,a5,1).
bond(m421,a4,a6,ar).
bond(m421,a6,a7,ar).
bond(m421,a6,a15,1).
bond(m421,a7,a8,ar).
bond(m421,a7,a16,1).
bond(m421,a8,a9,1).
bond(m421,a9,a10,1).
bond(m421,a9,a17,1).
bond(m421,a10,a11,2).
bond(m421,a10,a12,1).
bond(m421,a12,a13,1).
bond(m421,a12,a18,1).
bond(m421,a12,a19,1).
bond(m421,a13,a20,1).
bond(m421,a13,a21,1).
bond(m421,a13,a22,1).
atm(m422,a1,o,o3,2.798,1.214,0.000,-0.249).
atm(m422,a2,c,car,3.479,2.401,0.024,0.122).
atm(m422,a3,c,car,2.680,3.570,-0.006,-0.098).
atm(m422,a4,c,c3,1.158,3.545,-0.072,0.030).
atm(m422,a5,c,c3,0.613,3.046,1.269,-0.117).
atm(m422,a6,c,c3,0.658,2.652,-1.213,-0.117).
atm(m422,a7,c,c3,0.570,4.941,-0.329,-0.126).
atm(m422,a8,c,car,3.332,4.799,0.061,-0.094).
atm(m422,a9,c,car,4.721,4.901,0.101,-0.105).
atm(m422,a10,c,c3,5.389,6.263,0.096,0.013).
atm(m422,a11,c,c3,4.544,7.292,0.850,-0.119).
atm(m422,a12,c,c3,5.540,6.702,-1.363,-0.113).
atm(m422,a13,c,c3,6.770,6.211,0.752,-0.119).
atm(m422,a14,c,car,5.478,3.735,0.088,-0.087).
atm(m422,a15,c,car,4.891,2.470,0.087,-0.156).
atm(m422,a16,c,c3,5.792,1.242,0.132,0.017).
atm(m422,a17,c,c3,7.271,1.609,0.313,-0.122).
atm(m422,a18,c,c3,5.661,0.469,-1.185,-0.121).
atm(m422,a19,c,c3,5.424,0.336,1.314,-0.123).
atm(m422,a20,h,h,3.430,0.503,-0.090,0.212).
atm(m422,a21,h,h,0.912,3.713,2.089,0.040).
atm(m422,a22,h,h,-0.484,3.003,1.258,0.039).
atm(m422,a23,h,h,0.976,2.039,1.512,0.055).
atm(m422,a24,h,h,-0.400,2.852,-1.434,0.037).
atm(m422,a25,h,h,0.729,1.583,-0.975,0.057).
atm(m422,a26,h,h,1.227,2.830,-2.134,0.042).
atm(m422,a27,h,h,0.981,5.696,0.361,0.044).
atm(m422,a28,h,h,0.780,5.283,-1.351,0.043).
atm(m422,a29,h,h,-0.521,4.939,-0.201,0.045).
atm(m422,a30,h,h,2.747,5.737,0.090,0.127).
atm(m422,a31,h,h,4.966,8.300,0.751,0.043).
atm(m422,a32,h,h,3.511,7.319,0.465,0.046).
atm(m422,a33,h,h,4.486,7.057,1.920,0.046).
atm(m422,a34,h,h,6.159,5.994,-1.928,0.043).
atm(m422,a35,h,h,4.563,6.761,-1.862,0.045).
atm(m422,a36,h,h,6.012,7.690,-1.437,0.041).
atm(m422,a37,h,h,7.300,7.165,0.636,0.044).
atm(m422,a38,h,h,6.696,5.998,1.826,0.046).
atm(m422,a39,h,h,7.396,5.421,0.305,0.044).
atm(m422,a40,h,h,6.580,3.836,0.070,0.126).
atm(m422,a41,h,h,7.920,0.740,0.135,0.046).
atm(m422,a42,h,h,7.583,2.406,-0.380,0.050).
atm(m422,a43,h,h,7.474,1.965,1.332,0.047).
atm(m422,a44,h,h,5.918,1.103,-2.043,0.053).
atm(m422,a45,h,h,6.328,-0.404,-1.204,0.046).
atm(m422,a46,h,h,4.638,0.095,-1.342,0.038).
atm(m422,a47,h,h,6.195,-0.429,1.479,0.046).
atm(m422,a48,h,h,5.326,0.914,2.242,0.055).
atm(m422,a49,h,h,4.478,-0.201,1.155,0.039).
bond(m422,a1,a2,1).
bond(m422,a1,a20,1).
bond(m422,a2,a3,ar).
bond(m422,a2,a15,ar).
bond(m422,a3,a4,1).
bond(m422,a3,a8,ar).
bond(m422,a4,a5,1).
bond(m422,a4,a6,1).
bond(m422,a4,a7,1).
bond(m422,a5,a21,1).
bond(m422,a5,a22,1).
bond(m422,a5,a23,1).
bond(m422,a6,a24,1).
bond(m422,a6,a25,1).
bond(m422,a6,a26,1).
bond(m422,a7,a27,1).
bond(m422,a7,a28,1).
bond(m422,a7,a29,1).
bond(m422,a8,a9,ar).
bond(m422,a8,a30,1).
bond(m422,a9,a10,1).
bond(m422,a9,a14,ar).
bond(m422,a10,a11,1).
bond(m422,a10,a12,1).
bond(m422,a10,a13,1).
bond(m422,a11,a31,1).
bond(m422,a11,a32,1).
bond(m422,a11,a33,1).
bond(m422,a12,a34,1).
bond(m422,a12,a35,1).
bond(m422,a12,a36,1).
bond(m422,a13,a37,1).
bond(m422,a13,a38,1).
bond(m422,a13,a39,1).
bond(m422,a14,a15,ar).
bond(m422,a14,a40,1).
bond(m422,a15,a16,1).
bond(m422,a16,a17,1).
bond(m422,a16,a18,1).
bond(m422,a16,a19,1).
bond(m422,a17,a41,1).
bond(m422,a17,a42,1).
bond(m422,a17,a43,1).
bond(m422,a18,a44,1).
bond(m422,a18,a45,1).
bond(m422,a18,a46,1).
bond(m422,a19,a47,1).
bond(m422,a19,a48,1).
bond(m422,a19,a49,1).
atm(m423,a1,c,c2,3.500,2.425,0.000,-0.117).
atm(m423,a2,c,c2,2.175,2.455,0.083,-0.178).
atm(m423,a3,c,c3,1.340,1.225,0.064,-0.039).
atm(m423,a4,cl,cl,0.433,1.217,-1.483,-0.049).
atm(m423,a5,c,c3,0.339,1.189,1.196,-0.099).
atm(m423,a6,cl,cl,-0.762,2.577,1.084,-0.042).
atm(m423,a7,h,h,4.102,3.329,0.005,0.084).
atm(m423,a8,h,h,4.076,1.507,-0.080,0.081).
atm(m423,a9,h,h,1.619,3.399,0.158,0.125).
atm(m423,a10,h,h,1.965,0.302,0.085,0.085).
atm(m423,a11,h,h,-0.264,0.264,1.163,0.075).
atm(m423,a12,h,h,0.848,1.222,2.176,0.073).
bond(m423,a1,a2,2).
bond(m423,a1,a7,1).
bond(m423,a1,a8,1).
bond(m423,a2,a3,1).
bond(m423,a2,a9,1).
bond(m423,a3,a4,1).
bond(m423,a3,a5,1).
bond(m423,a3,a10,1).
bond(m423,a5,a6,1).
bond(m423,a5,a11,1).
bond(m423,a5,a12,1).
atm(m424,a1,c,c2,4.848,2.798,0.000,0.253).
atm(m424,a2,o,o2,5.894,2.179,-0.003,-0.377).
atm(m424,a3,n,nam,3.606,2.113,-0.050,-0.094).
atm(m424,a4,c,c3,3.540,0.659,-0.340,-0.052).
atm(m424,a5,c,c3,3.732,0.280,-1.808,-0.126).
atm(m424,a6,c,c3,2.437,0.317,-2.605,-0.105).
atm(m424,a7,c,c3,2.671,-0.036,-4.056,-0.109).
atm(m424,a8,c,c3,2.388,2.912,-0.353,-0.071).
atm(m424,a9,c,c3,1.412,2.944,0.821,-0.112).
atm(m424,a10,c,c3,1.878,3.855,1.946,-0.098).
atm(m424,a11,c,c3,0.879,3.883,3.080,-0.109).
atm(m424,a12,h,h,4.801,3.896,0.102,0.076).
atm(m424,a13,h,h,4.322,0.172,0.276,0.076).
atm(m424,a14,h,h,2.565,0.291,0.038,0.058).
atm(m424,a15,h,h,4.493,0.928,-2.287,0.066).
atm(m424,a16,h,h,4.155,-0.744,-1.855,0.060).
atm(m424,a17,h,h,1.699,-0.381,-2.161,0.050).
atm(m424,a18,h,h,1.971,1.324,-2.529,0.049).
atm(m424,a19,h,h,1.735,-0.016,-4.628,0.038).
atm(m424,a20,h,h,3.365,0.666,-4.538,0.039).
atm(m424,a21,h,h,3.100,-1.042,-4.164,0.041).
atm(m424,a22,h,h,2.677,3.947,-0.633,0.055).
atm(m424,a23,h,h,1.886,2.478,-1.249,0.064).
atm(m424,a24,h,h,0.427,3.292,0.450,0.053).
atm(m424,a25,h,h,1.237,1.921,1.211,0.061).
atm(m424,a26,h,h,2.865,3.522,2.322,0.055).
atm(m424,a27,h,h,2.039,4.881,1.558,0.046).
atm(m424,a28,h,h,1.215,4.544,3.889,0.039).
atm(m424,a29,h,h,-0.103,4.245,2.747,0.037).
atm(m424,a30,h,h,0.728,2.885,3.513,0.040).
bond(m424,a1,a2,2).
bond(m424,a1,a3,1).
bond(m424,a1,a12,1).
bond(m424,a3,a4,1).
bond(m424,a3,a8,1).
bond(m424,a4,a5,1).
bond(m424,a4,a13,1).
bond(m424,a4,a14,1).
bond(m424,a5,a6,1).
bond(m424,a5,a15,1).
bond(m424,a5,a16,1).
bond(m424,a6,a7,1).
bond(m424,a6,a17,1).
bond(m424,a6,a18,1).
bond(m424,a7,a19,1).
bond(m424,a7,a20,1).
bond(m424,a7,a21,1).
bond(m424,a8,a9,1).
bond(m424,a8,a22,1).
bond(m424,a8,a23,1).
bond(m424,a9,a10,1).
bond(m424,a9,a24,1).
bond(m424,a9,a25,1).
bond(m424,a10,a11,1).
bond(m424,a10,a26,1).
bond(m424,a10,a27,1).
bond(m424,a11,a28,1).
bond(m424,a11,a29,1).
bond(m424,a11,a30,1).
atm(m425,a1,c,c3,0.700,0.000,0.000,0.223).
atm(m425,a2,o,o3,0.132,1.284,0.001,-0.308).
atm(m425,a3,c,c1,2.149,0.006,-0.014,-0.241).
atm(m425,a4,c,c1,3.342,0.009,-0.022,-0.143).
atm(m425,a5,c,c3,4.773,0.010,-0.033,0.036).
atm(m425,a6,h,h,0.343,-0.588,0.870,0.032).
atm(m425,a7,h,h,0.298,-0.460,-0.921,0.061).
atm(m425,a8,h,h,0.503,1.763,0.731,0.189).
atm(m425,a9,h,h,5.163,0.925,0.432,0.050).
atm(m425,a10,h,h,5.166,-0.852,0.522,0.050).
atm(m425,a11,h,h,5.153,-0.042,-1.062,0.051).
bond(m425,a1,a2,1).
bond(m425,a1,a3,1).
bond(m425,a1,a6,1).
bond(m425,a1,a7,1).
bond(m425,a2,a8,1).
bond(m425,a3,a4,3).
bond(m425,a4,a5,1).
bond(m425,a5,a9,1).
bond(m425,a5,a10,1).
bond(m425,a5,a11,1).
atm(m426,a1,c,c3,6.068,1.402,0.000,-0.071).
atm(m426,a2,c,c2,4.771,2.132,0.000,-0.105).
atm(m426,a3,c,c3,4.834,3.617,0.000,-0.069).
atm(m426,a4,c,c2,3.618,1.439,0.000,-0.134).
atm(m426,a5,c,c2,2.298,2.036,-0.001,-0.117).
atm(m426,a6,c,c2,1.160,1.318,-0.001,-0.111).
atm(m426,a7,c,c3,-0.168,1.987,-0.001,-0.071).
atm(m426,a8,c,c3,1.122,-0.167,-0.001,-0.077).
atm(m426,a9,h,h,6.930,2.083,0.003,0.043).
atm(m426,a10,h,h,6.157,0.756,0.884,0.045).
atm(m426,a11,h,h,6.160,0.760,-0.887,0.045).
atm(m426,a12,h,h,5.870,3.985,0.000,0.043).
atm(m426,a13,h,h,4.338,4.036,-0.886,0.047).
atm(m426,a14,h,h,4.338,4.036,0.886,0.047).
atm(m426,a15,h,h,3.646,0.336,0.000,0.107).
atm(m426,a16,h,h,2.246,3.133,-0.001,0.104).
atm(m426,a17,h,h,-0.092,3.082,-0.001,0.042).
atm(m426,a18,h,h,-0.748,1.695,-0.887,0.045).
atm(m426,a19,h,h,-0.748,1.695,0.885,0.045).
atm(m426,a20,h,h,2.133,-0.607,-0.001,0.050).
atm(m426,a21,h,h,0.594,-0.542,0.886,0.046).
atm(m426,a22,h,h,0.594,-0.542,-0.888,0.046).
bond(m426,a1,a2,1).
bond(m426,a1,a9,1).
bond(m426,a1,a10,1).
bond(m426,a1,a11,1).
bond(m426,a2,a3,1).
bond(m426,a2,a4,2).
bond(m426,a3,a12,1).
bond(m426,a3,a13,1).
bond(m426,a3,a14,1).
bond(m426,a4,a5,1).
bond(m426,a4,a15,1).
bond(m426,a5,a6,2).
bond(m426,a5,a16,1).
bond(m426,a6,a7,1).
bond(m426,a6,a8,1).
bond(m426,a7,a17,1).
bond(m426,a7,a18,1).
bond(m426,a7,a19,1).
bond(m426,a8,a20,1).
bond(m426,a8,a21,1).
bond(m426,a8,a22,1).
atm(m427,a1,c,c3,4.186,1.037,-0.741,-0.055).
atm(m427,a2,n,n3,5.315,0.954,-1.714,-0.037).
atm(m427,a3,c,c3,4.679,1.099,0.723,-0.121).
atm(m427,a4,c,c3,3.482,1.183,1.671,-0.067).
atm(m427,a5,c,c3,2.670,2.441,1.359,-0.096).
atm(m427,a6,c,c3,2.166,2.380,-0.084,-0.072).
atm(m427,a7,c,c3,1.283,1.144,-0.265,-0.095).
atm(m427,a8,c,c3,2.096,-0.114,0.046,-0.072).
atm(m427,a9,c,c3,2.599,-0.053,1.489,-0.096).
atm(m427,a10,c,c3,3.358,2.302,-1.041,-0.090).
atm(m427,a11,c,c3,3.287,-0.204,-0.910,-0.090).
atm(m427,a12,h,h,5.340,1.977,0.872,0.052).
atm(m427,a13,h,h,5.290,0.207,0.965,0.052).
atm(m427,a14,h,h,3.289,3.346,1.512,0.051).
atm(m427,a15,h,h,1.817,2.529,2.059,0.053).
atm(m427,a16,h,h,1.573,3.296,-0.310,0.063).
atm(m427,a17,h,h,0.890,1.101,-1.299,0.054).
atm(m427,a18,h,h,0.399,1.204,0.400,0.051).
atm(m427,a19,h,h,3.860,-1.131,-0.711,0.051).
atm(m427,a20,h,h,2.929,-0.280,-1.956,0.065).
atm(m427,a21,h,h,5.852,0.133,-1.526,0.027).
atm(m427,a22,h,h,5.898,1.759,-1.612,0.027).
atm(m427,a23,h,h,3.167,-0.971,1.737,0.051).
atm(m427,a24,h,h,1.745,-0.020,2.193,0.053).
atm(m427,a25,h,h,3.848,1.227,2.723,0.061).
atm(m427,a26,h,h,3.983,3.211,-0.938,0.051).
atm(m427,a27,h,h,3.002,2.289,-2.090,0.065).
atm(m427,a28,h,h,1.451,-1.015,-0.084,0.063).
bond(m427,a1,a2,1).
bond(m427,a1,a3,1).
bond(m427,a1,a11,1).
bond(m427,a1,a10,1).
bond(m427,a2,a21,1).
bond(m427,a2,a22,1).
bond(m427,a3,a4,1).
bond(m427,a3,a12,1).
bond(m427,a3,a13,1).
bond(m427,a4,a5,1).
bond(m427,a4,a9,1).
bond(m427,a4,a25,1).
bond(m427,a5,a6,1).
bond(m427,a5,a14,1).
bond(m427,a5,a15,1).
bond(m427,a6,a10,1).
bond(m427,a6,a7,1).
bond(m427,a6,a16,1).
bond(m427,a7,a8,1).
bond(m427,a7,a17,1).
bond(m427,a7,a18,1).
bond(m427,a8,a9,1).
bond(m427,a8,a11,1).
bond(m427,a8,a28,1).
bond(m427,a9,a23,1).
bond(m427,a9,a24,1).
bond(m427,a10,a26,1).
bond(m427,a10,a27,1).
bond(m427,a11,a19,1).
bond(m427,a11,a20,1).
atm(m428,a1,n,nar,4.900,1.211,0.000,-0.181).
atm(m428,a2,c,car,3.539,1.226,-0.006,0.175).
atm(m428,a3,o,o3,2.923,0.023,-0.006,-0.214).
atm(m428,a4,c,car,2.783,2.418,-0.012,-0.068).
atm(m428,a5,c,c1,1.364,2.383,-0.018,-0.072).
atm(m428,a6,n,n1,0.204,2.350,-0.023,-0.062).
atm(m428,a7,c,car,3.482,3.637,-0.011,0.044).
atm(m428,a8,c,c3,2.760,4.934,-0.016,-0.086).
atm(m428,a9,c,car,4.878,3.614,-0.004,-0.215).
atm(m428,a10,c,car,5.568,2.396,-0.001,0.044).
atm(m428,a11,c,c3,7.056,2.355,-0.009,-0.077).
atm(m428,a12,h,h,3.582,-0.664,-0.001,0.226).
atm(m428,a13,h,h,3.446,5.792,-0.014,0.054).
atm(m428,a14,h,h,2.121,5.022,-0.905,0.064).
atm(m428,a15,h,h,2.113,5.024,0.868,0.064).
atm(m428,a16,h,h,5.442,4.555,-0.002,0.129).
atm(m428,a17,h,h,7.479,3.228,0.504,0.051).
atm(m428,a18,h,h,7.458,1.454,0.475,0.065).
atm(m428,a19,h,h,7.428,2.366,-1.044,0.060).
bond(m428,a1,a2,ar).
bond(m428,a1,a10,ar).
bond(m428,a2,a3,1).
bond(m428,a2,a4,ar).
bond(m428,a3,a12,1).
bond(m428,a4,a5,1).
bond(m428,a4,a7,ar).
bond(m428,a5,a6,3).
bond(m428,a7,a8,1).
bond(m428,a7,a9,ar).
bond(m428,a8,a13,1).
bond(m428,a8,a14,1).
bond(m428,a8,a15,1).
bond(m428,a9,a10,ar).
bond(m428,a9,a16,1).
bond(m428,a10,a11,1).
bond(m428,a11,a17,1).
bond(m428,a11,a18,1).
bond(m428,a11,a19,1).
atm(m429,a1,n,npl3,0.000,2.425,0.000,0.120).
atm(m429,a2,c,car,1.377,2.727,0.154,-0.090).
atm(m429,a3,c,car,1.896,3.975,-0.260,0.013).
atm(m429,a4,f,f,1.072,4.944,-0.681,-0.066).
atm(m429,a5,c,car,3.279,4.233,-0.230,0.066).
atm(m429,a6,f,f,3.746,5.421,-0.626,-0.056).
atm(m429,a7,c,car,4.174,3.243,0.217,0.016).
atm(m429,a8,f,f,5.488,3.485,0.245,-0.056).
atm(m429,a9,c,car,3.672,1.998,0.640,0.066).
atm(m429,a10,f,f,4.513,1.056,1.073,-0.056).
atm(m429,a11,c,car,2.288,1.747,0.608,0.013).
atm(m429,a12,f,f,1.844,0.554,1.028,-0.066).
atm(m429,a13,h,h,-0.580,3.232,0.033,0.049).
atm(m429,a14,h,h,-0.313,1.716,0.623,0.049).
bond(m429,a1,a2,1).
bond(m429,a1,a13,1).
bond(m429,a1,a14,1).
bond(m429,a2,a3,ar).
bond(m429,a2,a11,ar).
bond(m429,a3,a4,1).
bond(m429,a3,a5,ar).
bond(m429,a5,a6,1).
bond(m429,a5,a7,ar).
bond(m429,a7,a8,1).
bond(m429,a7,a9,ar).
bond(m429,a9,a10,1).
bond(m429,a9,a11,ar).
bond(m429,a11,a12,1).
atm(m42,a1,c,c3,2.099,2.424,0.000,-0.151).
atm(m42,a2,c,c3,1.334,1.103,-0.027,0.079).
atm(m42,a3,o,o3,1.745,0.279,-1.095,-0.309).
atm(m42,a4,c,c3,-0.172,1.356,-0.050,-0.151).
atm(m42,a5,h,h,3.185,2.262,0.006,0.052).
atm(m42,a6,h,h,1.866,3.050,-0.872,0.040).
atm(m42,a7,h,h,1.845,3.002,0.897,0.048).
atm(m42,a8,h,h,1.610,0.476,0.852,0.069).
atm(m42,a9,h,h,1.546,0.742,-1.900,0.182).
atm(m42,a10,h,h,-0.487,1.905,0.846,0.048).
atm(m42,a11,h,h,-0.738,0.416,-0.080,0.052).
atm(m42,a12,h,h,-0.473,1.949,-0.924,0.040).
bond(m42,a1,a2,1).
bond(m42,a1,a5,1).
bond(m42,a1,a6,1).
bond(m42,a1,a7,1).
bond(m42,a2,a3,1).
bond(m42,a2,a4,1).
bond(m42,a2,a8,1).
bond(m42,a3,a9,1).
bond(m42,a4,a10,1).
bond(m42,a4,a11,1).
bond(m42,a4,a12,1).
atm(m430,a1,cl,cl,0.000,3.640,0.000,0.073).
atm(m430,a2,c,car,1.683,3.648,0.046,-0.126).
atm(m430,a3,c,car,2.371,2.456,0.263,-0.097).
atm(m430,a4,c,car,3.759,2.463,0.299,-0.060).
atm(m430,a5,c,car,4.461,3.661,0.125,-0.187).
atm(m430,a6,s,s3,6.216,3.540,0.250,0.156).
atm(m430,a7,c,c3,6.845,5.140,-0.271,-0.270).
atm(m430,a8,s,s3,7.535,5.086,-1.956,-0.343).
atm(m430,a9,p,p3,6.949,6.940,-2.927,1.571).
atm(m430,a10,s,s2,5.484,7.832,-2.010,-0.672).
atm(m430,a11,o,o3,6.805,6.515,-4.575,-0.540).
atm(m430,a12,c,c3,5.544,6.271,-5.142,0.101).
atm(m430,a13,c,c3,5.369,4.805,-5.502,-0.147).
atm(m430,a14,o,o3,8.335,7.898,-3.105,-0.520).
atm(m430,a15,c,c3,9.489,7.452,-3.779,0.114).
atm(m430,a16,c,c3,10.671,8.269,-3.286,-0.126).
atm(m430,a17,c,car,2.372,4.845,-0.135,-0.084).
atm(m430,a18,c,car,3.760,4.847,-0.094,-0.103).
atm(m430,a19,h,h,1.816,1.521,0.403,0.120).
atm(m430,a20,h,h,4.308,1.528,0.464,0.121).
atm(m430,a21,h,h,6.071,5.946,-0.189,0.139).
atm(m430,a22,h,h,7.658,5.406,0.430,0.130).
atm(m430,a23,h,h,4.739,6.627,-4.466,0.049).
atm(m430,a24,h,h,5.536,6.907,-6.046,0.054).
atm(m430,a25,h,h,5.362,4.153,-4.618,0.054).
atm(m430,a26,h,h,4.416,4.661,-6.027,0.052).
atm(m430,a27,h,h,6.168,4.446,-6.164,0.055).
atm(m430,a28,h,h,9.643,6.371,-3.590,0.036).
atm(m430,a29,h,h,9.330,7.594,-4.864,0.043).
atm(m430,a30,h,h,11.580,7.973,-3.825,0.047).
atm(m430,a31,h,h,10.524,9.345,-3.449,0.054).
atm(m430,a32,h,h,10.858,8.125,-2.214,0.049).
atm(m430,a33,h,h,1.821,5.776,-0.308,0.124).
atm(m430,a34,h,h,4.306,5.797,-0.244,0.133).
bond(m430,a1,a2,1).
bond(m430,a2,a3,ar).
bond(m430,a2,a17,ar).
bond(m430,a3,a4,ar).
bond(m430,a3,a19,1).
bond(m430,a4,a5,ar).
bond(m430,a4,a20,1).
bond(m430,a5,a6,1).
bond(m430,a5,a18,ar).
bond(m430,a6,a7,1).
bond(m430,a7,a8,1).
bond(m430,a7,a21,1).
bond(m430,a7,a22,1).
bond(m430,a8,a9,1).
bond(m430,a9,a10,2).
bond(m430,a9,a11,1).
bond(m430,a9,a14,1).
bond(m430,a11,a12,1).
bond(m430,a12,a13,1).
bond(m430,a12,a23,1).
bond(m430,a12,a24,1).
bond(m430,a13,a25,1).
bond(m430,a13,a26,1).
bond(m430,a13,a27,1).
bond(m430,a14,a15,1).
bond(m430,a15,a16,1).
bond(m430,a15,a28,1).
bond(m430,a15,a29,1).
bond(m430,a16,a30,1).
bond(m430,a16,a31,1).
bond(m430,a16,a32,1).
bond(m430,a17,a18,ar).
bond(m430,a17,a33,1).
bond(m430,a18,a34,1).
atm(m431,a1,c,car,5.895,2.510,-2.105,-0.034).
atm(m431,a2,c,car,5.576,1.162,-1.970,-0.124).
atm(m431,a3,c,car,4.398,0.787,-1.333,-0.076).
atm(m431,a4,c,car,3.541,1.764,-0.835,-0.125).
atm(m431,a5,c,car,3.868,3.109,-0.975,-0.056).
atm(m431,a6,c,car,5.045,3.494,-1.608,-0.501).
atm(m431,a7,p,p3,5.531,5.240,-1.826,2.000).
atm(m431,a8,o,o2,6.411,5.476,-2.990,-0.845).
atm(m431,a9,c,car,6.274,5.712,-0.227,-0.501).
atm(m431,a10,c,car,5.888,5.145,0.984,-0.056).
atm(m431,a11,c,car,6.488,5.535,2.177,-0.126).
atm(m431,a12,c,car,7.488,6.502,2.166,-0.076).
atm(m431,a13,c,car,7.884,7.072,0.961,-0.124).
atm(m431,a14,c,car,7.278,6.675,-0.227,-0.034).
atm(m431,a15,c,car,3.954,6.156,-1.894,-0.501).
atm(m431,a16,c,car,3.232,6.509,-0.758,-0.056).
atm(m431,a17,c,car,2.035,7.209,-0.862,-0.126).
atm(m431,a18,c,car,1.547,7.565,-2.116,-0.076).
atm(m431,a19,c,car,2.262,7.220,-3.258,-0.124).
atm(m431,a20,c,car,3.460,6.520,-3.143,-0.034).
atm(m431,a21,h,h,6.821,2.803,-2.617,0.117).
atm(m431,a22,h,h,6.252,0.397,-2.366,0.105).
atm(m431,a23,h,h,4.144,-0.272,-1.225,0.101).
atm(m431,a24,h,h,2.610,1.474,-0.337,0.104).
atm(m431,a25,h,h,6.175,5.079,3.122,0.104).
atm(m431,a26,h,h,7.963,6.811,3.103,0.101).
atm(m431,a27,h,h,8.675,7.829,0.947,0.105).
atm(m431,a28,h,h,3.621,6.241,0.234,0.104).
atm(m431,a29,h,h,1.478,7.483,0.040,0.104).
atm(m431,a30,h,h,0.605,8.115,-2.203,0.101).
atm(m431,a31,h,h,1.885,7.502,-4.247,0.105).
atm(m431,a32,h,h,4.027,6.258,-4.046,0.117).
atm(m431,a33,h,h,3.184,3.879,-0.592,0.104).
atm(m431,a34,h,h,5.107,4.371,0.993,0.104).
atm(m431,a35,h,h,7.600,7.120,-1.179,0.118).
bond(m431,a1,a2,ar).
bond(m431,a1,a6,ar).
bond(m431,a1,a21,1).
bond(m431,a2,a3,ar).
bond(m431,a2,a22,1).
bond(m431,a3,a4,ar).
bond(m431,a3,a23,1).
bond(m431,a4,a5,ar).
bond(m431,a4,a24,1).
bond(m431,a5,a6,ar).
bond(m431,a5,a33,1).
bond(m431,a6,a7,1).
bond(m431,a7,a8,2).
bond(m431,a7,a9,1).
bond(m431,a7,a15,1).
bond(m431,a9,a10,ar).
bond(m431,a9,a14,ar).
bond(m431,a10,a11,ar).
bond(m431,a10,a34,1).
bond(m431,a11,a12,ar).
bond(m431,a11,a25,1).
bond(m431,a12,a13,ar).
bond(m431,a12,a26,1).
bond(m431,a13,a14,ar).
bond(m431,a13,a27,1).
bond(m431,a14,a35,1).
bond(m431,a15,a16,ar).
bond(m431,a15,a20,ar).
bond(m431,a16,a17,ar).
bond(m431,a16,a28,1).
bond(m431,a17,a18,ar).
bond(m431,a17,a29,1).
bond(m431,a18,a19,ar).
bond(m431,a18,a30,1).
bond(m431,a19,a20,ar).
bond(m431,a19,a31,1).
bond(m431,a20,a32,1).
atm(m432,a1,c,car,4.102,1.359,1.739,-0.008).
atm(m432,a2,c,car,2.734,1.576,1.633,-0.179).
atm(m432,a3,c,car,2.239,2.569,0.775,-0.016).
atm(m432,a4,n,npl3,0.828,2.875,0.738,0.022).
atm(m432,a5,c,c3,-0.092,1.798,1.171,-0.102).
atm(m432,a6,c,c3,0.333,3.563,-0.475,-0.102).
atm(m432,a7,c,car,3.154,3.332,0.032,-0.178).
atm(m432,a8,c,car,4.516,3.095,0.151,-0.020).
atm(m432,a9,c,car,5.010,2.111,1.001,-0.530).
atm(m432,a10,p,p3,6.793,1.782,1.209,2.002).
atm(m432,a11,o,o2,7.090,0.742,2.221,-0.851).
atm(m432,a12,c,car,7.411,1.370,-0.459,-0.529).
atm(m432,a13,c,car,7.108,2.112,-1.597,-0.031).
atm(m432,a14,c,car,7.597,1.757,-2.845,-0.178).
atm(m432,a15,c,car,8.416,0.625,-2.986,-0.016).
atm(m432,a16,n,npl3,9.016,0.308,-4.260,0.022).
atm(m432,a17,c,c3,9.488,-1.084,-4.439,-0.102).
atm(m432,a18,c,c3,8.308,0.804,-5.463,-0.102).
atm(m432,a19,c,car,8.727,-0.124,-1.841,-0.178).
atm(m432,a20,c,car,8.227,0.251,-0.601,-0.007).
atm(m432,a21,c,car,7.488,3.417,1.611,-0.525).
atm(m432,a22,c,car,8.333,4.129,0.767,-0.024).
atm(m432,a23,c,car,8.866,5.353,1.146,-0.177).
atm(m432,a24,c,car,8.561,5.900,2.403,-0.016).
atm(m432,a25,n,npl3,9.025,7.220,2.759,0.021).
atm(m432,a26,c,c3,9.030,7.554,4.202,-0.102).
atm(m432,a27,c,c3,10.258,7.689,2.086,-0.101).
atm(m432,a28,c,car,7.705,5.185,3.255,-0.176).
atm(m432,a29,c,car,7.184,3.961,2.856,-0.003).
atm(m432,a30,h,h,4.473,0.580,2.419,0.119).
atm(m432,a31,h,h,2.039,0.970,2.234,0.117).
atm(m432,a32,h,h,0.296,1.307,2.077,0.059).
atm(m432,a33,h,h,-1.065,2.246,1.413,0.050).
atm(m432,a34,h,h,-0.247,1.026,0.403,0.031).
atm(m432,a35,h,h,1.036,4.354,-0.782,0.058).
atm(m432,a36,h,h,0.189,2.885,-1.331,0.031).
atm(m432,a37,h,h,-0.632,4.033,-0.242,0.050).
atm(m432,a38,h,h,2.795,4.123,-0.642,0.116).
atm(m432,a39,h,h,5.223,3.688,-0.452,0.099).
atm(m432,a40,h,h,6.455,2.996,-1.503,0.102).
atm(m432,a41,h,h,7.344,2.367,-3.725,0.116).
atm(m432,a42,h,h,10.201,-1.106,-5.274,0.050).
atm(m432,a43,h,h,10.007,-1.432,-3.532,0.060).
atm(m432,a44,h,h,8.676,-1.793,-4.660,0.032).
atm(m432,a45,h,h,7.432,0.196,-5.733,0.032).
atm(m432,a46,h,h,7.969,1.840,-5.306,0.057).
atm(m432,a47,h,h,9.007,0.796,-6.310,0.050).
atm(m432,a48,h,h,9.375,-1.010,-1.920,0.117).
atm(m432,a49,h,h,8.477,-0.349,0.285,0.121).
atm(m432,a50,h,h,8.585,3.715,-0.219,0.106).
atm(m432,a51,h,h,9.529,5.896,0.455,0.116).
atm(m432,a52,h,h,8.114,7.179,4.687,0.059).
atm(m432,a53,h,h,9.895,7.137,4.740,0.032).
atm(m432,a54,h,h,9.052,8.646,4.307,0.049).
atm(m432,a55,h,h,10.232,7.431,1.016,0.058).
atm(m432,a56,h,h,10.310,8.782,2.177,0.049).
atm(m432,a57,h,h,11.177,7.262,2.518,0.032).
atm(m432,a58,h,h,7.439,5.594,4.241,0.117).
atm(m432,a59,h,h,6.523,3.412,3.538,0.104).
bond(m432,a1,a2,ar).
bond(m432,a1,a9,ar).
bond(m432,a1,a30,1).
bond(m432,a2,a3,ar).
bond(m432,a2,a31,1).
bond(m432,a3,a4,1).
bond(m432,a3,a7,ar).
bond(m432,a4,a5,1).
bond(m432,a4,a6,1).
bond(m432,a5,a32,1).
bond(m432,a5,a33,1).
bond(m432,a5,a34,1).
bond(m432,a6,a35,1).
bond(m432,a6,a36,1).
bond(m432,a6,a37,1).
bond(m432,a7,a8,ar).
bond(m432,a7,a38,1).
bond(m432,a8,a9,ar).
bond(m432,a8,a39,1).
bond(m432,a9,a10,1).
bond(m432,a10,a11,2).
bond(m432,a10,a12,1).
bond(m432,a10,a21,1).
bond(m432,a12,a13,ar).
bond(m432,a12,a20,ar).
bond(m432,a13,a14,ar).
bond(m432,a13,a40,1).
bond(m432,a14,a15,ar).
bond(m432,a14,a41,1).
bond(m432,a15,a16,1).
bond(m432,a15,a19,ar).
bond(m432,a16,a17,1).
bond(m432,a16,a18,1).
bond(m432,a17,a42,1).
bond(m432,a17,a43,1).
bond(m432,a17,a44,1).
bond(m432,a18,a45,1).
bond(m432,a18,a46,1).
bond(m432,a18,a47,1).
bond(m432,a19,a20,ar).
bond(m432,a19,a48,1).
bond(m432,a20,a49,1).
bond(m432,a21,a22,ar).
bond(m432,a21,a29,ar).
bond(m432,a22,a23,ar).
bond(m432,a22,a50,1).
bond(m432,a23,a24,ar).
bond(m432,a23,a51,1).
bond(m432,a24,a25,1).
bond(m432,a24,a28,ar).
bond(m432,a25,a26,1).
bond(m432,a25,a27,1).
bond(m432,a26,a52,1).
bond(m432,a26,a53,1).
bond(m432,a26,a54,1).
bond(m432,a27,a55,1).
bond(m432,a27,a56,1).
bond(m432,a27,a57,1).
bond(m432,a28,a29,ar).
bond(m432,a28,a58,1).
bond(m432,a29,a59,1).
atm(m433,a1,c,c2,0.000,2.428,0.000,-0.058).
atm(m433,a2,c,c2,0.632,1.258,-0.017,-0.185).
atm(m433,a3,c,c2,2.110,1.171,0.012,0.404).
atm(m433,a4,o,o2,2.915,2.082,0.045,-0.381).
atm(m433,a5,o,o3,2.551,-0.126,0.002,-0.264).
atm(m433,a6,c,c3,3.942,-0.400,0.071,0.064).
atm(m433,a7,c,c3,4.614,-0.280,-1.307,0.039).
atm(m433,a8,o,o3,5.884,-0.877,-1.186,-0.308).
atm(m433,a9,h,h,0.515,3.386,0.036,0.096).
atm(m433,a10,h,h,-1.084,2.501,-0.020,0.079).
atm(m433,a11,h,h,0.082,0.308,-0.052,0.123).
atm(m433,a12,h,h,4.449,0.228,0.827,0.064).
atm(m433,a13,h,h,3.931,-1.442,0.436,0.066).
atm(m433,a14,h,h,4.027,-0.805,-2.086,0.031).
atm(m433,a15,h,h,4.701,0.780,-1.615,0.040).
atm(m433,a16,h,h,6.362,-0.647,-1.971,0.190).
bond(m433,a1,a2,2).
bond(m433,a1,a9,1).
bond(m433,a1,a10,1).
bond(m433,a2,a3,1).
bond(m433,a2,a11,1).
bond(m433,a3,a4,2).
bond(m433,a3,a5,1).
bond(m433,a5,a6,1).
bond(m433,a6,a7,1).
bond(m433,a6,a12,1).
bond(m433,a6,a13,1).
bond(m433,a7,a8,1).
bond(m433,a7,a14,1).
bond(m433,a7,a15,1).
bond(m433,a8,a16,1).
atm(m434,a1,c,c1,0.000,0.000,0.000,-0.158).
atm(m434,a2,c,c1,0.888,0.793,0.001,-0.196).
atm(m434,a3,c,c3,1.969,1.766,-0.009,0.228).
atm(m434,a4,o,o3,1.491,2.946,0.619,-0.311).
atm(m434,a5,c,c3,3.212,1.178,0.688,-0.149).
atm(m434,a6,c,c3,4.391,2.134,0.599,-0.101).
atm(m434,a7,c,c3,5.576,1.631,1.405,-0.102).
atm(m434,a8,c,c3,6.759,2.580,1.304,-0.097).
atm(m434,a9,c,c3,7.939,2.081,2.108,-0.110).
atm(m434,a10,h,h,-0.795,-0.708,-0.002,0.194).
atm(m434,a11,h,h,2.207,2.016,-1.075,0.050).
atm(m434,a12,h,h,2.268,3.432,0.879,0.194).
atm(m434,a13,h,h,2.982,0.950,1.748,0.070).
atm(m434,a14,h,h,3.469,0.208,0.220,0.068).
atm(m434,a15,h,h,4.685,2.280,-0.460,0.054).
atm(m434,a16,h,h,4.079,3.140,0.962,0.044).
atm(m434,a17,h,h,5.286,1.501,2.468,0.054).
atm(m434,a18,h,h,5.870,0.622,1.053,0.054).
atm(m434,a19,h,h,7.051,2.707,0.243,0.049).
atm(m434,a20,h,h,6.463,3.590,1.653,0.048).
atm(m434,a21,h,h,8.792,2.768,2.032,0.039).
atm(m434,a22,h,h,7.690,1.983,3.173,0.039).
atm(m434,a23,h,h,8.278,1.097,1.760,0.039).
bond(m434,a1,a2,3).
bond(m434,a1,a10,1).
bond(m434,a2,a3,1).
bond(m434,a3,a4,1).
bond(m434,a3,a5,1).
bond(m434,a3,a11,1).
bond(m434,a4,a12,1).
bond(m434,a5,a6,1).
bond(m434,a5,a13,1).
bond(m434,a5,a14,1).
bond(m434,a6,a7,1).
bond(m434,a6,a15,1).
bond(m434,a6,a16,1).
bond(m434,a7,a8,1).
bond(m434,a7,a17,1).
bond(m434,a7,a18,1).
bond(m434,a8,a9,1).
bond(m434,a8,a19,1).
bond(m434,a8,a20,1).
bond(m434,a9,a21,1).
bond(m434,a9,a22,1).
bond(m434,a9,a23,1).
atm(m435,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m435,a2,c,c3,1.285,0.774,-0.187,-0.098).
atm(m435,a3,c,c3,2.347,0.340,0.811,-0.103).
atm(m435,a4,c,c3,3.638,1.120,0.622,-0.102).
atm(m435,a5,c,c3,4.699,0.683,1.618,-0.101).
atm(m435,a6,c,c3,5.988,1.467,1.427,-0.095).
atm(m435,a7,c,c3,7.046,1.026,2.423,-0.152).
atm(m435,a8,c,c2,8.363,1.761,2.300,0.275).
atm(m435,a9,o,o2,8.574,2.636,1.483,-0.312).
atm(m435,a10,c,c3,9.419,1.322,3.283,-0.173).
atm(m435,a11,h,h,0.153,-1.079,-0.135,0.037).
atm(m435,a12,h,h,-0.418,0.146,1.005,0.037).
atm(m435,a13,h,h,-0.764,0.315,-0.722,0.037).
atm(m435,a14,h,h,1.662,0.638,-1.221,0.049).
atm(m435,a15,h,h,1.092,1.860,-0.083,0.049).
atm(m435,a16,h,h,1.970,0.475,1.845,0.050).
atm(m435,a17,h,h,2.541,-0.747,0.706,0.050).
atm(m435,a18,h,h,4.012,0.987,-0.413,0.053).
atm(m435,a19,h,h,3.443,2.207,0.729,0.053).
atm(m435,a20,h,h,4.324,0.815,2.653,0.049).
atm(m435,a21,h,h,4.895,-0.403,1.509,0.049).
atm(m435,a22,h,h,6.363,1.336,0.392,0.063).
atm(m435,a23,h,h,5.793,2.552,1.535,0.063).
atm(m435,a24,h,h,6.673,1.159,3.459,0.070).
atm(m435,a25,h,h,7.245,-0.059,2.313,0.070).
atm(m435,a26,h,h,10.360,1.876,3.171,0.068).
atm(m435,a27,h,h,9.068,1.465,4.313,0.060).
atm(m435,a28,h,h,9.644,0.255,3.153,0.060).
bond(m435,a1,a2,1).
bond(m435,a1,a11,1).
bond(m435,a1,a12,1).
bond(m435,a1,a13,1).
bond(m435,a2,a3,1).
bond(m435,a2,a14,1).
bond(m435,a2,a15,1).
bond(m435,a3,a4,1).
bond(m435,a3,a16,1).
bond(m435,a3,a17,1).
bond(m435,a4,a5,1).
bond(m435,a4,a18,1).
bond(m435,a4,a19,1).
bond(m435,a5,a6,1).
bond(m435,a5,a20,1).
bond(m435,a5,a21,1).
bond(m435,a6,a7,1).
bond(m435,a6,a22,1).
bond(m435,a6,a23,1).
bond(m435,a7,a8,1).
bond(m435,a7,a24,1).
bond(m435,a7,a25,1).
bond(m435,a8,a9,2).
bond(m435,a8,a10,1).
bond(m435,a10,a26,1).
bond(m435,a10,a27,1).
bond(m435,a10,a28,1).
atm(m436,a1,c,c3,2.804,1.215,0.000,-0.068).
atm(m436,a2,c,c3,2.053,-0.114,0.010,-0.114).
atm(m436,a3,c,c3,0.662,0.007,-0.586,-0.096).
atm(m436,a4,c,c3,0.702,0.496,-2.029,-0.092).
atm(m436,a5,c,c3,1.776,1.554,-2.263,-0.118).
atm(m436,a6,c,c3,2.184,2.216,-0.962,-0.076).
atm(m436,a7,cl,cl,3.361,3.507,-1.314,-0.043).
atm(m436,a8,cl,cl,4.493,0.891,-0.503,-0.052).
atm(m436,a9,h,h,2.856,1.657,1.021,0.084).
atm(m436,a10,h,h,1.988,-0.498,1.047,0.061).
atm(m436,a11,h,h,2.629,-0.877,-0.553,0.075).
atm(m436,a12,h,h,0.047,0.691,0.033,0.051).
atm(m436,a13,h,h,0.149,-0.973,-0.538,0.056).
atm(m436,a14,h,h,-0.294,0.894,-2.304,0.051).
atm(m436,a15,h,h,0.877,-0.357,-2.713,0.055).
atm(m436,a16,h,h,1.420,2.318,-2.980,0.068).
atm(m436,a17,h,h,2.674,1.100,-2.730,0.073).
atm(m436,a18,h,h,1.303,2.702,-0.481,0.086).
bond(m436,a1,a2,1).
bond(m436,a1,a6,1).
bond(m436,a1,a8,1).
bond(m436,a1,a9,1).
bond(m436,a2,a3,1).
bond(m436,a2,a10,1).
bond(m436,a2,a11,1).
bond(m436,a3,a4,1).
bond(m436,a3,a12,1).
bond(m436,a3,a13,1).
bond(m436,a4,a5,1).
bond(m436,a4,a14,1).
bond(m436,a4,a15,1).
bond(m436,a5,a6,1).
bond(m436,a5,a16,1).
bond(m436,a5,a17,1).
bond(m436,a6,a7,1).
bond(m436,a6,a18,1).
atm(m437,a1,c,car,6.058,2.096,0.000,-0.178).
atm(m437,a2,c,car,7.250,2.819,0.000,-0.067).
atm(m437,a3,c,car,8.476,2.172,0.000,-0.136).
atm(m437,a4,c,car,8.520,0.779,0.000,-0.068).
atm(m437,a5,c,car,7.349,0.041,0.000,-0.143).
atm(m437,a6,c,car,6.102,0.702,0.000,0.098).
atm(m437,a7,o,o3,5.078,-0.220,0.000,-0.124).
atm(m437,a8,c,car,3.721,0.038,0.000,0.057).
atm(m437,a9,c,car,3.000,-1.176,0.000,-0.103).
atm(m437,a10,c,car,1.618,-1.169,0.000,-0.108).
atm(m437,a11,c,car,0.937,0.060,0.001,0.070).
atm(m437,a12,o,o3,-0.430,-0.010,0.002,-0.225).
atm(m437,a13,c,car,1.644,1.263,0.002,-0.165).
atm(m437,a14,c,car,3.038,1.252,0.001,-0.132).
atm(m437,a15,h,h,5.121,2.660,0.000,0.122).
atm(m437,a16,h,h,7.210,3.914,0.000,0.101).
atm(m437,a17,h,h,9.406,2.750,0.000,0.107).
atm(m437,a18,h,h,9.487,0.264,0.000,0.103).
atm(m437,a19,h,h,7.394,-1.055,0.000,0.121).
atm(m437,a20,h,h,3.535,-2.135,-0.001,0.120).
atm(m437,a21,h,h,1.058,-2.111,0.000,0.122).
atm(m437,a22,h,h,-0.766,0.878,0.002,0.196).
atm(m437,a23,h,h,1.117,2.225,0.002,0.110).
atm(m437,a24,h,h,3.548,2.220,0.002,0.122).
bond(m437,a1,a2,ar).
bond(m437,a1,a6,ar).
bond(m437,a1,a15,1).
bond(m437,a2,a3,ar).
bond(m437,a2,a16,1).
bond(m437,a3,a4,ar).
bond(m437,a3,a17,1).
bond(m437,a4,a5,ar).
bond(m437,a4,a18,1).
bond(m437,a5,a6,ar).
bond(m437,a5,a19,1).
bond(m437,a6,a7,1).
bond(m437,a7,a8,1).
bond(m437,a8,a9,ar).
bond(m437,a8,a14,ar).
bond(m437,a9,a10,ar).
bond(m437,a9,a20,1).
bond(m437,a10,a11,ar).
bond(m437,a10,a21,1).
bond(m437,a11,a12,1).
bond(m437,a11,a13,ar).
bond(m437,a12,a22,1).
bond(m437,a13,a14,ar).
bond(m437,a13,a23,1).
bond(m437,a14,a24,1).
atm(m438,a1,c,c2,1.211,3.487,0.000,-0.086).
atm(m438,a2,c,c2,1.189,2.151,0.000,-0.142).
atm(m438,a3,c,c3,-0.108,1.416,0.000,-0.073).
atm(m438,a4,c,c2,2.428,1.325,0.000,0.419).
atm(m438,a5,o,o2,2.508,0.111,0.000,-0.375).
atm(m438,a6,o,o3,3.586,2.052,0.000,-0.275).
atm(m438,a7,c,c3,4.829,1.350,0.000,0.065).
atm(m438,a8,c,c3,5.911,2.441,0.000,0.061).
atm(m438,a9,o,o3,7.150,1.770,0.001,-0.307).
atm(m438,a10,h,h,2.118,4.085,0.000,0.095).
atm(m438,a11,h,h,0.293,4.071,0.000,0.083).
atm(m438,a12,h,h,0.017,0.325,-0.001,0.069).
atm(m438,a13,h,h,-0.701,1.678,0.886,0.048).
atm(m438,a14,h,h,-0.702,1.679,-0.886,0.048).
atm(m438,a15,h,h,4.900,0.702,0.894,0.060).
atm(m438,a16,h,h,4.900,0.702,-0.894,0.060).
atm(m438,a17,h,h,5.825,3.091,-0.892,0.030).
atm(m438,a18,h,h,5.825,3.091,0.893,0.030).
atm(m438,a19,h,h,7.818,2.442,0.000,0.190).
bond(m438,a1,a2,2).
bond(m438,a1,a10,1).
bond(m438,a1,a11,1).
bond(m438,a2,a3,1).
bond(m438,a2,a4,1).
bond(m438,a3,a12,1).
bond(m438,a3,a13,1).
bond(m438,a3,a14,1).
bond(m438,a4,a5,2).
bond(m438,a4,a6,1).
bond(m438,a6,a7,1).
bond(m438,a7,a8,1).
bond(m438,a7,a15,1).
bond(m438,a7,a16,1).
bond(m438,a8,a9,1).
bond(m438,a8,a17,1).
bond(m438,a8,a18,1).
bond(m438,a9,a19,1).
atm(m439,a1,c,car,1.400,1.133,0.000,-0.155).
atm(m439,a2,br,br,-0.448,1.108,0.000,0.049).
atm(m439,a3,c,car,2.139,2.272,0.001,-0.273).
atm(m439,a4,s,s3,3.824,1.892,0.000,0.321).
atm(m439,a5,c,car,3.496,0.193,-0.001,-0.294).
atm(m439,a6,c,car,2.155,-0.075,-0.001,-0.097).
atm(m439,a7,h,h,1.753,3.290,0.001,0.161).
atm(m439,a8,h,h,4.292,-0.549,-0.001,0.149).
atm(m439,a9,h,h,1.696,-1.064,-0.001,0.138).
bond(m439,a1,a2,1).
bond(m439,a1,a3,ar).
bond(m439,a1,a6,ar).
bond(m439,a3,a4,ar).
bond(m439,a3,a7,1).
bond(m439,a4,a5,ar).
bond(m439,a5,a6,ar).
bond(m439,a5,a8,1).
bond(m439,a6,a9,1).
atm(m43,a1,c,c3,2.099,2.424,0.000,-0.170).
atm(m43,a2,c,c2,1.324,1.134,-0.008,0.276).
atm(m43,a3,o,o2,1.872,0.048,-0.019,-0.314).
atm(m43,a4,c,c3,-0.173,1.279,0.000,-0.170).
atm(m43,a5,h,h,3.186,2.269,-0.002,0.067).
atm(m43,a6,h,h,1.846,3.027,-0.882,0.061).
atm(m43,a7,h,h,1.848,3.016,0.890,0.060).
atm(m43,a8,h,h,-0.500,1.827,0.893,0.061).
atm(m43,a9,h,h,-0.695,0.313,-0.009,0.067).
atm(m43,a10,h,h,-0.507,1.847,-0.879,0.060).
bond(m43,a1,a2,1).
bond(m43,a1,a5,1).
bond(m43,a1,a6,1).
bond(m43,a1,a7,1).
bond(m43,a2,a3,2).
bond(m43,a2,a4,1).
bond(m43,a4,a8,1).
bond(m43,a4,a9,1).
bond(m43,a4,a10,1).
atm(m440,a1,o,o2,0.000,0.000,0.000,-0.307).
atm(m440,a2,c,c2,0.618,1.040,0.000,0.322).
atm(m440,a3,c,car,2.103,1.106,0.001,-0.202).
atm(m440,a4,c,car,2.760,2.342,-0.001,-0.071).
atm(m440,a5,cl,cl,1.898,3.792,-0.003,0.083).
atm(m440,a6,c,car,4.151,2.414,0.001,-0.128).
atm(m440,a7,c,car,4.890,1.234,0.003,-0.091).
atm(m440,a8,cl,cl,6.569,1.310,0.005,0.087).
atm(m440,a9,c,car,4.255,-0.006,0.004,-0.123).
atm(m440,a10,c,car,2.866,-0.064,0.003,-0.014).
atm(m440,a11,h,h,0.082,2.005,-0.002,0.061).
atm(m440,a12,h,h,4.656,3.387,0.000,0.134).
atm(m440,a13,h,h,4.851,-0.925,0.006,0.124).
atm(m440,a14,h,h,2.362,-1.039,0.004,0.126).
bond(m440,a1,a2,2).
bond(m440,a2,a3,1).
bond(m440,a2,a11,1).
bond(m440,a3,a4,ar).
bond(m440,a3,a10,ar).
bond(m440,a4,a5,1).
bond(m440,a4,a6,ar).
bond(m440,a6,a7,ar).
bond(m440,a6,a12,1).
bond(m440,a7,a8,1).
bond(m440,a7,a9,ar).
bond(m440,a9,a10,ar).
bond(m440,a9,a13,1).
bond(m440,a10,a14,1).
atm(m441,a1,c,car,2.100,0.000,0.000,-0.017).
atm(m441,a2,c,car,0.711,0.000,0.000,-0.137).
atm(m441,a3,c,car,0.014,1.204,0.003,-0.056).
atm(m441,a4,c,car,0.710,2.409,0.005,-0.135).
atm(m441,a5,c,car,2.100,2.410,0.004,-0.026).
atm(m441,a6,c,car,2.813,1.205,0.002,-0.282).
atm(m441,a7,s,s3,4.555,1.171,0.002,0.111).
atm(m441,a8,s,s3,5.870,2.307,0.005,0.111).
atm(m441,a9,c,car,7.612,2.273,0.005,-0.282).
atm(m441,a10,c,car,8.325,3.479,0.009,-0.017).
atm(m441,a11,c,car,9.714,3.480,0.009,-0.137).
atm(m441,a12,c,car,10.411,2.276,0.006,-0.056).
atm(m441,a13,c,car,9.716,1.071,0.002,-0.135).
atm(m441,a14,c,car,8.326,1.069,0.002,-0.026).
atm(m441,a15,h,h,2.649,-0.950,-0.002,0.113).
atm(m441,a16,h,h,0.164,-0.949,-0.001,0.107).
atm(m441,a17,h,h,-1.082,1.204,0.003,0.101).
atm(m441,a18,h,h,0.163,3.357,0.006,0.107).
atm(m441,a19,h,h,2.645,3.362,0.006,0.113).
atm(m441,a20,h,h,7.775,4.428,0.012,0.113).
atm(m441,a21,h,h,10.260,4.429,0.012,0.107).
atm(m441,a22,h,h,11.507,2.276,0.006,0.101).
atm(m441,a23,h,h,10.263,0.123,-0.001,0.107).
atm(m441,a24,h,h,7.781,0.117,-0.001,0.113).
bond(m441,a1,a2,ar).
bond(m441,a1,a6,ar).
bond(m441,a1,a15,1).
bond(m441,a2,a3,ar).
bond(m441,a2,a16,1).
bond(m441,a3,a4,ar).
bond(m441,a3,a17,1).
bond(m441,a4,a5,ar).
bond(m441,a4,a18,1).
bond(m441,a5,a6,ar).
bond(m441,a5,a19,1).
bond(m441,a6,a7,1).
bond(m441,a7,a8,1).
bond(m441,a8,a9,1).
bond(m441,a9,a10,ar).
bond(m441,a9,a14,ar).
bond(m441,a10,a11,ar).
bond(m441,a10,a20,1).
bond(m441,a11,a12,ar).
bond(m441,a11,a21,1).
bond(m441,a12,a13,ar).
bond(m441,a12,a22,1).
bond(m441,a13,a14,ar).
bond(m441,a13,a23,1).
bond(m441,a14,a24,1).
atm(m442,a1,c,car,2.800,3.640,0.000,-0.047).
atm(m442,a2,c,car,2.094,2.430,0.000,-0.100).
atm(m442,a3,c,car,0.694,2.430,0.000,-0.100).
atm(m442,a4,c,car,0.000,3.640,0.000,-0.100).
atm(m442,a5,c,car,0.694,4.850,0.000,-0.102).
atm(m442,a6,c,car,2.094,4.850,0.000,-0.088).
atm(m442,a7,c,c2,4.200,3.640,0.000,-0.091).
atm(m442,a8,c,c2,4.905,2.430,0.000,-0.118).
atm(m442,a9,c,c2,6.306,2.430,0.000,-0.118).
atm(m442,a10,c,c2,7.000,1.209,0.000,-0.091).
atm(m442,a11,c,car,8.400,1.209,0.000,-0.048).
atm(m442,a12,c,car,9.105,2.430,0.000,-0.101).
atm(m442,a13,c,car,10.494,2.430,0.000,-0.101).
atm(m442,a14,c,car,11.200,1.209,0.000,-0.098).
atm(m442,a15,c,car,10.494,0.000,0.000,-0.103).
atm(m442,a16,c,car,9.105,0.000,0.000,-0.088).
atm(m442,a17,h,h,2.637,1.485,0.000,0.112).
atm(m442,a18,h,h,0.148,1.487,0.000,0.103).
atm(m442,a19,h,h,-1.090,3.640,0.000,0.102).
atm(m442,a20,h,h,0.148,5.793,0.000,0.103).
atm(m442,a21,h,h,2.637,5.795,0.000,0.104).
atm(m442,a22,h,h,4.743,4.585,0.000,0.106).
atm(m442,a23,h,h,4.363,1.485,0.000,0.114).
atm(m442,a24,h,h,6.854,3.372,0.000,0.116).
atm(m442,a25,h,h,6.452,0.267,0.000,0.108).
atm(m442,a26,h,h,8.561,3.374,0.000,0.113).
atm(m442,a27,h,h,11.039,3.374,0.000,0.103).
atm(m442,a28,h,h,12.290,1.207,0.000,0.103).
atm(m442,a29,h,h,11.037,-0.945,0.000,0.103).
atm(m442,a30,h,h,8.562,-0.945,0.000,0.104).
bond(m442,a1,a2,ar).
bond(m442,a1,a6,ar).
bond(m442,a1,a7,1).
bond(m442,a2,a3,ar).
bond(m442,a2,a17,1).
bond(m442,a3,a4,ar).
bond(m442,a3,a18,1).
bond(m442,a4,a5,ar).
bond(m442,a4,a19,1).
bond(m442,a5,a6,ar).
bond(m442,a5,a20,1).
bond(m442,a6,a21,1).
bond(m442,a7,a8,2).
bond(m442,a7,a22,1).
bond(m442,a8,a9,1).
bond(m442,a8,a23,1).
bond(m442,a9,a10,2).
bond(m442,a9,a24,1).
bond(m442,a10,a11,1).
bond(m442,a10,a25,1).
bond(m442,a11,a12,ar).
bond(m442,a11,a16,ar).
bond(m442,a12,a13,ar).
bond(m442,a12,a26,1).
bond(m442,a13,a14,ar).
bond(m442,a13,a27,1).
bond(m442,a14,a15,ar).
bond(m442,a14,a28,1).
bond(m442,a15,a16,ar).
bond(m442,a15,a29,1).
bond(m442,a16,a30,1).
atm(m443,a1,c,car,2.100,0.000,0.000,-0.086).
atm(m443,a2,c,car,0.709,0.006,0.014,-0.082).
atm(m443,a3,c,car,0.008,1.203,0.068,-0.122).
atm(m443,a4,c,car,0.707,2.419,0.112,-0.090).
atm(m443,a5,n,npl3,-0.005,3.647,0.282,0.075).
atm(m443,a6,c,car,2.109,2.420,0.093,-0.098).
atm(m443,a7,c,car,2.795,1.210,0.035,-0.090).
atm(m443,a8,c,c2,4.284,1.180,0.031,0.424).
atm(m443,a9,o,o2,5.006,0.405,0.629,-0.379).
atm(m443,a10,o,o3,4.844,2.144,-0.757,-0.268).
atm(m443,a11,c,c3,6.269,2.220,-0.827,0.078).
atm(m443,a12,c,c3,6.592,3.377,-1.752,-0.124).
atm(m443,a13,h,h,2.648,-0.949,-0.032,0.120).
atm(m443,a14,h,h,0.163,-0.942,-0.015,0.106).
atm(m443,a15,h,h,-1.088,1.189,0.079,0.111).
atm(m443,a16,h,h,0.502,4.420,-0.087,0.033).
atm(m443,a17,h,h,-0.920,3.598,-0.106,0.032).
atm(m443,a18,h,h,2.667,3.365,0.122,0.122).
atm(m443,a19,h,h,6.686,2.379,0.186,0.047).
atm(m443,a20,h,h,6.674,1.265,-1.213,0.048).
atm(m443,a21,h,h,7.680,3.486,-1.849,0.048).
atm(m443,a22,h,h,6.182,3.229,-2.759,0.049).
atm(m443,a23,h,h,6.196,4.330,-1.375,0.047).
bond(m443,a1,a2,ar).
bond(m443,a1,a7,ar).
bond(m443,a1,a13,1).
bond(m443,a2,a3,ar).
bond(m443,a2,a14,1).
bond(m443,a3,a4,ar).
bond(m443,a3,a15,1).
bond(m443,a4,a5,1).
bond(m443,a4,a6,ar).
bond(m443,a5,a16,1).
bond(m443,a5,a17,1).
bond(m443,a6,a7,ar).
bond(m443,a6,a18,1).
bond(m443,a7,a8,1).
bond(m443,a8,a9,2).
bond(m443,a8,a10,1).
bond(m443,a10,a11,1).
bond(m443,a11,a12,1).
bond(m443,a11,a19,1).
bond(m443,a11,a20,1).
bond(m443,a12,a21,1).
bond(m443,a12,a22,1).
bond(m443,a12,a23,1).
atm(m444,a1,c,c3,2.101,3.639,0.000,0.308).
atm(m444,a2,f,f,1.638,4.900,-0.091,-0.116).
atm(m444,a3,f,f,2.443,3.468,1.294,-0.129).
atm(m444,a4,f,f,3.260,3.622,-0.687,-0.118).
atm(m444,a5,c,c3,1.066,2.547,-0.495,0.009).
atm(m444,a6,o,o3,-0.231,2.839,-0.109,-0.248).
atm(m444,a7,c,c3,1.547,1.144,0.064,0.310).
atm(m444,a8,f,f,2.881,0.977,-0.030,-0.122).
atm(m444,a9,f,f,1.256,0.971,1.370,-0.126).
atm(m444,a10,f,f,0.996,0.094,-0.573,-0.116).
atm(m444,a11,h,h,1.018,2.530,-1.607,0.136).
atm(m444,a12,h,h,-0.257,2.935,0.837,0.211).
bond(m444,a1,a2,1).
bond(m444,a1,a3,1).
bond(m444,a1,a4,1).
bond(m444,a1,a5,1).
bond(m444,a5,a6,1).
bond(m444,a5,a7,1).
bond(m444,a5,a11,1).
bond(m444,a6,a12,1).
bond(m444,a7,a8,1).
bond(m444,a7,a9,1).
bond(m444,a7,a10,1).
atm(m445,a1,c,c2,0.000,0.699,0.000,-0.125).
atm(m445,a2,c,c2,1.144,0.026,0.015,-0.169).
atm(m445,a3,c,c3,2.517,0.637,-0.007,0.121).
atm(m445,a4,o,o3,2.419,1.998,-0.383,-0.315).
atm(m445,a5,c,c3,3.172,0.463,1.378,-0.112).
atm(m445,a6,c,c2,4.659,0.516,1.385,-0.127).
atm(m445,a7,c,c2,5.412,1.235,0.560,-0.178).
atm(m445,a8,h,h,-0.067,1.783,-0.032,0.095).
atm(m445,a9,h,h,-0.963,0.197,0.013,0.074).
atm(m445,a10,h,h,1.146,-1.071,0.050,0.096).
atm(m445,a11,h,h,3.123,0.101,-0.782,0.047).
atm(m445,a12,h,h,3.312,2.327,-0.384,0.194).
atm(m445,a13,h,h,2.791,1.230,2.083,0.077).
atm(m445,a14,h,h,2.853,-0.513,1.798,0.065).
atm(m445,a15,h,h,5.137,-0.087,2.167,0.095).
atm(m445,a16,h,h,6.496,1.247,0.618,0.086).
atm(m445,a17,h,h,5.009,1.867,-0.231,0.078).
bond(m445,a1,a2,2).
bond(m445,a1,a8,1).
bond(m445,a1,a9,1).
bond(m445,a2,a3,1).
bond(m445,a2,a10,1).
bond(m445,a3,a4,1).
bond(m445,a3,a5,1).
bond(m445,a3,a11,1).
bond(m445,a4,a12,1).
bond(m445,a5,a6,1).
bond(m445,a5,a13,1).
bond(m445,a5,a14,1).
bond(m445,a6,a7,2).
bond(m445,a6,a15,1).
bond(m445,a7,a16,1).
bond(m445,a7,a17,1).
atm(m446,a1,c,c3,3.495,1.209,0.000,0.076).
atm(m446,a2,o,o3,4.896,1.054,-0.001,-0.313).
atm(m446,a3,c,c3,2.887,-0.197,-0.011,0.033).
atm(m446,a4,c,c1,1.450,-0.128,-0.011,-0.187).
atm(m446,a5,c,c1,0.259,-0.082,-0.011,-0.185).
atm(m446,a6,h,h,3.171,1.772,0.897,0.027).
atm(m446,a7,h,h,3.171,1.786,-0.888,0.027).
atm(m446,a8,h,h,5.264,1.927,0.007,0.188).
atm(m446,a9,h,h,3.223,-0.766,-0.902,0.070).
atm(m446,a10,h,h,3.222,-0.780,0.871,0.070).
atm(m446,a11,h,h,-0.804,-0.041,-0.012,0.196).
bond(m446,a1,a2,1).
bond(m446,a1,a3,1).
bond(m446,a1,a6,1).
bond(m446,a1,a7,1).
bond(m446,a2,a8,1).
bond(m446,a3,a4,1).
bond(m446,a3,a9,1).
bond(m446,a3,a10,1).
bond(m446,a4,a5,3).
bond(m446,a5,a11,1).
atm(m447,a1,c,c3,0.000,1.211,0.000,-0.107).
atm(m447,a2,c,c3,1.512,1.203,0.050,-0.064).
atm(m447,a3,c,c2,2.054,-0.100,0.515,-0.150).
atm(m447,a4,c,c2,3.358,-0.359,0.649,-0.158).
atm(m447,a5,c,c3,4.428,0.626,0.351,-0.080).
atm(m447,a6,c,c3,5.815,0.034,0.598,0.077).
atm(m447,a7,o,o3,6.761,1.032,0.292,-0.312).
atm(m447,a8,h,h,-0.440,1.019,0.988,0.039).
atm(m447,a9,h,h,-0.388,0.444,-0.684,0.039).
atm(m447,a10,h,h,-0.380,2.181,-0.345,0.038).
atm(m447,a11,h,h,1.929,1.437,-0.952,0.057).
atm(m447,a12,h,h,1.877,2.011,0.717,0.057).
atm(m447,a13,h,h,1.318,-0.878,0.754,0.101).
atm(m447,a14,h,h,3.681,-1.347,0.999,0.099).
atm(m447,a15,h,h,4.338,0.970,-0.701,0.069).
atm(m447,a16,h,h,4.282,1.537,0.970,0.069).
atm(m447,a17,h,h,5.924,-0.288,1.653,0.022).
atm(m447,a18,h,h,5.981,-0.860,-0.036,0.022).
atm(m447,a19,h,h,7.614,0.651,0.449,0.185).
bond(m447,a1,a2,1).
bond(m447,a1,a8,1).
bond(m447,a1,a9,1).
bond(m447,a1,a10,1).
bond(m447,a2,a3,1).
bond(m447,a2,a11,1).
bond(m447,a2,a12,1).
bond(m447,a3,a4,2).
bond(m447,a3,a13,1).
bond(m447,a4,a5,1).
bond(m447,a4,a14,1).
bond(m447,a5,a6,1).
bond(m447,a5,a15,1).
bond(m447,a5,a16,1).
bond(m447,a6,a7,1).
bond(m447,a6,a17,1).
bond(m447,a6,a18,1).
bond(m447,a7,a19,1).
atm(m448,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m448,a2,c,c3,1.315,0.758,0.000,-0.060).
atm(m448,a3,c,c2,2.503,-0.139,0.001,-0.150).
atm(m448,a4,c,c2,3.751,0.333,0.003,-0.161).
atm(m448,a5,c,c3,4.936,-0.567,0.004,-0.077).
atm(m448,a6,c,c3,6.238,0.233,0.006,0.076).
atm(m448,a7,o,o3,7.302,-0.691,0.008,-0.312).
atm(m448,a8,h,h,0.144,-1.090,0.000,0.043).
atm(m448,a9,h,h,-0.607,0.241,0.882,0.036).
atm(m448,a10,h,h,-0.607,0.241,-0.882,0.036).
atm(m448,a11,h,h,1.371,1.428,-0.881,0.054).
atm(m448,a12,h,h,1.370,1.429,0.881,0.054).
atm(m448,a13,h,h,2.312,-1.220,0.000,0.106).
atm(m448,a14,h,h,3.941,1.413,0.004,0.101).
atm(m448,a15,h,h,4.897,-1.237,0.887,0.067).
atm(m448,a16,h,h,4.899,-1.237,-0.878,0.067).
atm(m448,a17,h,h,6.299,0.888,-0.886,0.022).
atm(m448,a18,h,h,6.297,0.889,0.897,0.022).
atm(m448,a19,h,h,8.101,-0.181,0.008,0.185).
bond(m448,a1,a2,1).
bond(m448,a1,a8,1).
bond(m448,a1,a9,1).
bond(m448,a1,a10,1).
bond(m448,a2,a3,1).
bond(m448,a2,a11,1).
bond(m448,a2,a12,1).
bond(m448,a3,a4,2).
bond(m448,a3,a13,1).
bond(m448,a4,a5,1).
bond(m448,a4,a14,1).
bond(m448,a5,a6,1).
bond(m448,a5,a15,1).
bond(m448,a5,a16,1).
bond(m448,a6,a7,1).
bond(m448,a6,a17,1).
bond(m448,a6,a18,1).
bond(m448,a7,a19,1).
atm(m449,a1,c,c3,1.766,3.677,0.000,-0.134).
atm(m449,a2,n,npl3,1.330,2.282,-0.022,0.352).
atm(m449,a3,c,car,1.997,1.210,-0.650,-0.348).
atm(m449,a4,c,c2,3.341,1.242,-1.267,0.363).
atm(m449,a5,o,o2,3.527,0.847,-2.401,-0.302).
atm(m449,a6,c,c3,4.470,1.734,-0.397,-0.175).
atm(m449,a7,c,car,1.155,0.102,-0.564,-0.102).
atm(m449,a8,c,car,-0.028,0.495,0.112,-0.172).
atm(m449,a9,c,car,0.081,1.844,0.427,-0.271).
atm(m449,a10,h,h,2.860,3.736,0.134,0.068).
atm(m449,a11,h,h,1.510,4.190,-0.938,0.060).
atm(m449,a12,h,h,1.283,4.213,0.828,0.064).
atm(m449,a13,h,h,5.437,1.726,-0.917,0.069).
atm(m449,a14,h,h,4.283,2.764,-0.054,0.058).
atm(m449,a15,h,h,4.563,1.099,0.494,0.069).
atm(m449,a16,h,h,1.370,-0.892,-0.949,0.129).
atm(m449,a17,h,h,-0.873,-0.151,0.340,0.127).
atm(m449,a18,h,h,-0.635,2.491,0.933,0.144).
bond(m449,a1,a2,1).
bond(m449,a1,a10,1).
bond(m449,a1,a11,1).
bond(m449,a1,a12,1).
bond(m449,a2,a3,ar).
bond(m449,a2,a9,ar).
bond(m449,a3,a4,1).
bond(m449,a3,a7,ar).
bond(m449,a4,a5,2).
bond(m449,a4,a6,1).
bond(m449,a6,a13,1).
bond(m449,a6,a14,1).
bond(m449,a6,a15,1).
bond(m449,a7,a8,ar).
bond(m449,a7,a16,1).
bond(m449,a8,a9,ar).
bond(m449,a8,a17,1).
bond(m449,a9,a18,1).
atm(m44,a1,c,c3,1.399,1.212,0.000,-0.153).
atm(m44,a2,cl,cl,2.282,2.726,-0.012,0.016).
atm(m44,a3,cl,cl,2.325,0.020,-0.890,0.016).
atm(m44,a4,cl,cl,-0.132,1.453,-0.819,0.016).
atm(m44,a5,h,h,1.230,0.871,1.044,0.104).
bond(m44,a1,a2,1).
bond(m44,a1,a3,1).
bond(m44,a1,a4,1).
bond(m44,a1,a5,1).
atm(m450,a1,n,nar,7.006,1.212,0.000,-0.082).
atm(m450,a2,c,car,6.323,0.044,-0.001,-0.056).
atm(m450,a3,c,car,4.931,0.011,0.000,-0.156).
atm(m450,a4,c,car,4.211,1.212,0.001,0.012).
atm(m450,a5,c,car,2.743,1.212,0.001,-0.045).
atm(m450,a6,c,car,2.032,0.007,0.000,-0.093).
atm(m450,a7,c,car,0.643,0.008,0.001,-0.099).
atm(m450,a8,c,car,-0.054,1.211,0.002,-0.093).
atm(m450,a9,c,car,0.643,2.415,0.003,-0.099).
atm(m450,a10,c,car,2.032,2.417,0.002,-0.093).
atm(m450,a11,c,car,4.930,2.412,0.001,-0.156).
atm(m450,a12,c,car,6.323,2.380,0.001,-0.056).
atm(m450,a13,h,h,6.934,-0.866,-0.001,0.118).
atm(m450,a14,h,h,4.390,-0.947,-0.001,0.122).
atm(m450,a15,h,h,2.589,-0.943,-0.001,0.111).
atm(m450,a16,h,h,0.098,-0.942,0.000,0.105).
atm(m450,a17,h,h,-1.149,1.211,0.002,0.105).
atm(m450,a18,h,h,0.097,3.364,0.004,0.105).
atm(m450,a19,h,h,2.588,3.367,0.003,0.111).
atm(m450,a20,h,h,4.389,3.371,0.002,0.122).
atm(m450,a21,h,h,6.934,3.290,0.001,0.118).
bond(m450,a1,a2,ar).
bond(m450,a1,a12,ar).
bond(m450,a2,a3,ar).
bond(m450,a2,a13,1).
bond(m450,a3,a4,ar).
bond(m450,a3,a14,1).
bond(m450,a4,a5,1).
bond(m450,a4,a11,ar).
bond(m450,a5,a6,ar).
bond(m450,a5,a10,ar).
bond(m450,a6,a7,ar).
bond(m450,a6,a15,1).
bond(m450,a7,a8,ar).
bond(m450,a7,a16,1).
bond(m450,a8,a9,ar).
bond(m450,a8,a17,1).
bond(m450,a9,a10,ar).
bond(m450,a9,a18,1).
bond(m450,a10,a19,1).
bond(m450,a11,a12,ar).
bond(m450,a11,a20,1).
bond(m450,a12,a21,1).
atm(m451,a1,c,car,6.054,2.798,0.000,-0.025).
atm(m451,a2,c,car,7.260,2.120,-0.153,-0.118).
atm(m451,a3,c,car,7.264,0.771,-0.485,-0.066).
atm(m451,a4,c,car,6.059,0.097,-0.662,-0.122).
atm(m451,a5,c,car,4.845,2.129,-0.175,-0.366).
atm(m451,a6,c,car,4.855,0.773,-0.506,-0.039).
atm(m451,a7,s,so,3.253,2.929,0.091,1.048).
atm(m451,a8,o,o2,3.584,4.321,0.697,-0.688).
atm(m451,a9,c,car,2.779,3.249,-1.618,-0.366).
atm(m451,a10,c,car,2.211,2.207,-2.352,-0.039).
atm(m451,a11,c,car,1.775,2.420,-3.653,-0.122).
atm(m451,a12,c,car,1.899,3.681,-4.231,-0.066).
atm(m451,a13,c,car,2.901,4.508,-2.201,-0.025).
atm(m451,a14,c,car,2.461,4.723,-3.504,-0.118).
atm(m451,a15,h,h,6.053,3.865,0.268,0.132).
atm(m451,a16,h,h,8.206,2.654,-0.012,0.109).
atm(m451,a17,h,h,8.212,0.237,-0.607,0.104).
atm(m451,a18,h,h,6.058,-0.967,-0.922,0.107).
atm(m451,a19,h,h,3.907,0.238,-0.645,0.104).
atm(m451,a20,h,h,2.111,1.212,-1.898,0.104).
atm(m451,a21,h,h,1.331,1.597,-4.223,0.107).
atm(m451,a22,h,h,1.553,3.849,-5.256,0.104).
atm(m451,a23,h,h,3.341,5.335,-1.626,0.132).
atm(m451,a24,h,h,2.559,5.717,-3.954,0.109).
bond(m451,a1,a2,ar).
bond(m451,a1,a5,ar).
bond(m451,a1,a15,1).
bond(m451,a2,a3,ar).
bond(m451,a2,a16,1).
bond(m451,a3,a4,ar).
bond(m451,a3,a17,1).
bond(m451,a4,a6,ar).
bond(m451,a4,a18,1).
bond(m451,a5,a6,ar).
bond(m451,a5,a7,1).
bond(m451,a6,a19,1).
bond(m451,a7,a8,2).
bond(m451,a7,a9,1).
bond(m451,a9,a10,ar).
bond(m451,a9,a13,ar).
bond(m451,a10,a11,ar).
bond(m451,a10,a20,1).
bond(m451,a11,a12,ar).
bond(m451,a11,a21,1).
bond(m451,a12,a14,ar).
bond(m451,a12,a22,1).
bond(m451,a13,a14,ar).
bond(m451,a13,a23,1).
bond(m451,a14,a24,1).
atm(m452,a1,c,car,7.592,3.776,0.000,-0.087).
atm(m452,a2,c,car,8.804,4.477,0.000,-0.099).
atm(m452,a3,c,car,10.015,3.776,0.000,-0.098).
atm(m452,a4,c,car,10.015,2.384,0.000,-0.100).
atm(m452,a5,c,car,8.804,1.683,0.000,-0.089).
atm(m452,a6,c,car,7.592,2.384,0.000,-0.015).
atm(m452,a7,c,car,6.380,1.683,0.000,0.009).
atm(m452,a8,c,car,6.240,0.290,0.000,-0.171).
atm(m452,a9,c,car,4.867,0.000,0.000,-0.166).
atm(m452,a10,c,car,4.166,1.212,0.000,0.005).
atm(m452,a11,c,car,2.784,1.352,0.000,-0.013).
atm(m452,a12,c,car,1.963,0.230,0.000,-0.090).
atm(m452,a13,c,car,0.571,0.370,0.000,-0.099).
atm(m452,a14,c,car,0.000,1.653,0.000,-0.098).
atm(m452,a15,c,car,0.821,2.784,0.000,-0.100).
atm(m452,a16,c,car,2.213,2.634,0.000,-0.088).
atm(m452,a17,o,o3,5.108,2.253,0.000,-0.041).
atm(m452,a18,h,h,6.648,4.320,0.000,0.113).
atm(m452,a19,h,h,8.804,5.567,0.000,0.105).
atm(m452,a20,h,h,10.960,4.320,0.000,0.103).
atm(m452,a21,h,h,10.960,1.839,0.000,0.104).
atm(m452,a22,h,h,8.804,0.593,0.000,0.111).
atm(m452,a23,h,h,7.051,-0.438,0.000,0.133).
atm(m452,a24,h,h,4.424,-0.996,0.000,0.132).
atm(m452,a25,h,h,2.407,-0.765,0.000,0.110).
atm(m452,a26,h,h,-0.068,-0.513,0.000,0.105).
atm(m452,a27,h,h,-1.084,1.766,0.000,0.103).
atm(m452,a28,h,h,0.379,3.780,0.000,0.105).
atm(m452,a29,h,h,2.855,3.515,0.000,0.113).
bond(m452,a1,a2,ar).
bond(m452,a1,a6,ar).
bond(m452,a1,a18,1).
bond(m452,a2,a3,ar).
bond(m452,a2,a19,1).
bond(m452,a3,a4,ar).
bond(m452,a3,a20,1).
bond(m452,a4,a5,ar).
bond(m452,a4,a21,1).
bond(m452,a5,a6,ar).
bond(m452,a5,a22,1).
bond(m452,a6,a7,1).
bond(m452,a7,a8,ar).
bond(m452,a7,a17,ar).
bond(m452,a8,a9,ar).
bond(m452,a8,a23,1).
bond(m452,a9,a10,ar).
bond(m452,a9,a24,1).
bond(m452,a10,a11,1).
bond(m452,a10,a17,ar).
bond(m452,a11,a12,ar).
bond(m452,a11,a16,ar).
bond(m452,a12,a13,ar).
bond(m452,a12,a25,1).
bond(m452,a13,a14,ar).
bond(m452,a13,a26,1).
bond(m452,a14,a15,ar).
bond(m452,a14,a27,1).
bond(m452,a15,a16,ar).
bond(m452,a15,a28,1).
bond(m452,a16,a29,1).
atm(m453,a1,c,c2,7.249,1.392,0.000,-0.059).
atm(m453,a2,c,c2,6.102,2.064,0.004,-0.183).
atm(m453,a3,c,c2,4.794,1.370,0.004,0.406).
atm(m453,a4,o,o2,4.574,0.172,-0.015,-0.387).
atm(m453,a5,o,o3,3.744,2.243,0.034,-0.254).
atm(m453,a6,c,c3,2.423,1.712,0.025,0.036).
atm(m453,a7,c,c3,1.456,2.918,0.000,0.066).
atm(m453,a8,o,o3,1.422,3.554,-1.255,-0.299).
atm(m453,a9,c,c3,0.069,2.454,0.441,-0.151).
atm(m453,a10,h,h,8.214,1.893,-0.001,0.079).
atm(m453,a11,h,h,7.307,0.306,-0.002,0.095).
atm(m453,a12,h,h,6.078,3.162,0.005,0.125).
atm(m453,a13,h,h,2.279,1.052,-0.854,0.053).
atm(m453,a14,h,h,2.265,1.102,0.934,0.055).
atm(m453,a15,h,h,1.822,3.742,0.656,0.085).
atm(m453,a16,h,h,1.108,2.921,-1.889,0.182).
atm(m453,a17,h,h,-0.306,1.631,-0.183,0.042).
atm(m453,a18,h,h,0.084,2.102,1.480,0.051).
atm(m453,a19,h,h,-0.662,3.271,0.380,0.056).
bond(m453,a1,a2,2).
bond(m453,a1,a10,1).
bond(m453,a1,a11,1).
bond(m453,a2,a3,1).
bond(m453,a2,a12,1).
bond(m453,a3,a4,2).
bond(m453,a3,a5,1).
bond(m453,a5,a6,1).
bond(m453,a6,a7,1).
bond(m453,a6,a13,1).
bond(m453,a6,a14,1).
bond(m453,a7,a8,1).
bond(m453,a7,a9,1).
bond(m453,a7,a15,1).
bond(m453,a8,a16,1).
bond(m453,a9,a17,1).
bond(m453,a9,a18,1).
bond(m453,a9,a19,1).
atm(m454,a1,n,nar,2.100,0.000,0.000,-0.124).
atm(m454,a2,c,car,1.423,1.191,-0.001,-0.043).
atm(m454,a3,n,npl3,0.010,1.100,-0.012,0.098).
atm(m454,a4,c,car,2.088,2.432,-0.091,-0.191).
atm(m454,a5,c,car,3.473,2.435,-0.199,-0.008).
atm(m454,a6,c,car,4.123,1.214,-0.207,-0.220).
atm(m454,a7,br,br,5.979,1.188,-0.348,0.022).
atm(m454,a8,c,car,3.446,0.009,-0.108,0.004).
atm(m454,a9,h,h,-0.419,1.879,0.434,0.034).
atm(m454,a10,h,h,-0.349,0.231,0.315,0.052).
atm(m454,a11,h,h,1.528,3.374,-0.080,0.123).
atm(m454,a12,h,h,4.043,3.366,-0.276,0.122).
atm(m454,a13,h,h,3.954,-0.962,-0.109,0.132).
bond(m454,a1,a2,ar).
bond(m454,a1,a8,ar).
bond(m454,a2,a3,1).
bond(m454,a2,a4,ar).
bond(m454,a3,a9,1).
bond(m454,a3,a10,1).
bond(m454,a4,a5,ar).
bond(m454,a4,a11,1).
bond(m454,a5,a6,ar).
bond(m454,a5,a12,1).
bond(m454,a6,a7,1).
bond(m454,a6,a8,ar).
bond(m454,a8,a13,1).
atm(m455,a1,c,c3,0.000,1.209,0.000,-0.169).
atm(m455,a2,c,c3,0.661,-0.160,-0.017,0.165).
atm(m455,a3,o,o3,2.059,-0.299,-0.111,-0.629).
atm(m455,a4,p,p3,3.381,0.765,0.049,2.104).
atm(m455,a5,o,o2,3.575,2.212,-0.132,-0.869).
atm(m455,a6,c,c3,4.528,-0.281,-0.868,-0.469).
atm(m455,a7,c,car,5.896,0.238,-1.122,-0.057).
atm(m455,a8,c,car,6.196,1.574,-0.827,-0.178).
atm(m455,a9,c,car,7.485,2.065,-1.011,-0.083).
atm(m455,a10,c,car,8.483,1.235,-1.494,-0.112).
atm(m455,a11,c,car,8.196,-0.086,-1.801,-0.099).
atm(m455,a12,c,car,6.909,-0.579,-1.622,-0.107).
atm(m455,a13,o,o3,3.326,0.254,1.663,-0.652).
atm(m455,a14,c,c3,4.043,0.740,2.819,0.148).
atm(m455,a15,c,c3,4.710,2.100,2.611,-0.226).
atm(m455,a16,h,h,0.616,2.114,0.034,0.061).
atm(m455,a17,h,h,-0.623,1.324,-0.903,0.037).
atm(m455,a18,h,h,-0.690,1.269,0.858,0.044).
atm(m455,a19,h,h,0.374,-0.721,0.892,0.032).
atm(m455,a20,h,h,0.274,-0.711,-0.895,0.021).
atm(m455,a21,h,h,4.621,-1.253,-0.344,0.101).
atm(m455,a22,h,h,4.053,-0.505,-1.846,0.092).
atm(m455,a23,h,h,5.343,2.218,-0.501,0.184).
atm(m455,a24,h,h,7.713,3.109,-0.776,0.102).
atm(m455,a25,h,h,9.497,1.620,-1.634,0.101).
atm(m455,a26,h,h,8.988,-0.738,-2.183,0.101).
atm(m455,a27,h,h,6.680,-1.622,-1.860,0.100).
atm(m455,a28,h,h,3.294,0.772,3.631,0.032).
atm(m455,a29,h,h,4.785,-0.030,3.093,0.020).
atm(m455,a30,h,h,4.312,2.528,1.655,0.109).
atm(m455,a31,h,h,4.508,2.790,3.437,0.050).
atm(m455,a32,h,h,5.796,2.001,2.532,0.044).
bond(m455,a1,a2,1).
bond(m455,a1,a16,1).
bond(m455,a1,a17,1).
bond(m455,a1,a18,1).
bond(m455,a2,a3,1).
bond(m455,a2,a19,1).
bond(m455,a2,a20,1).
bond(m455,a3,a4,1).
bond(m455,a4,a5,2).
bond(m455,a4,a6,1).
bond(m455,a4,a13,1).
bond(m455,a6,a7,1).
bond(m455,a6,a21,1).
bond(m455,a6,a22,1).
bond(m455,a7,a8,ar).
bond(m455,a7,a12,ar).
bond(m455,a8,a9,ar).
bond(m455,a8,a23,1).
bond(m455,a9,a10,ar).
bond(m455,a9,a24,1).
bond(m455,a10,a11,ar).
bond(m455,a10,a25,1).
bond(m455,a11,a12,ar).
bond(m455,a11,a26,1).
bond(m455,a12,a27,1).
bond(m455,a13,a14,1).
bond(m455,a14,a15,1).
bond(m455,a14,a28,1).
bond(m455,a14,a29,1).
bond(m455,a15,a30,1).
bond(m455,a15,a31,1).
bond(m455,a15,a32,1).
atm(m456,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m456,a2,c,c3,1.212,0.701,0.000,-0.108).
atm(m456,a3,c,c3,2.438,0.000,0.000,-0.101).
atm(m456,a4,c,c3,3.650,0.701,0.000,-0.099).
atm(m456,a5,c,c3,4.862,0.000,0.000,-0.097).
atm(m456,a6,c,c3,6.088,0.701,0.000,-0.099).
atm(m456,a7,c,c3,7.300,0.000,0.000,-0.096).
atm(m456,a8,c,c3,8.512,0.701,0.000,-0.100).
atm(m456,a9,c,c3,9.738,0.000,0.000,-0.090).
atm(m456,a10,c,c3,10.950,0.701,0.000,-0.114).
atm(m456,a11,c,c3,12.162,0.000,0.000,-0.097).
atm(m456,a12,c,c2,13.389,0.701,0.000,0.179).
atm(m456,a13,o,o2,13.389,2.102,0.000,-0.425).
atm(m456,a14,n,nam,14.601,0.000,0.000,0.042).
atm(m456,a15,h,h,0.200,-1.071,0.000,0.044).
atm(m456,a16,h,h,-0.572,0.263,0.890,0.041).
atm(m456,a17,h,h,-0.572,0.263,-0.890,0.041).
atm(m456,a18,h,h,1.210,1.330,-0.890,0.048).
atm(m456,a19,h,h,1.210,1.330,0.890,0.048).
atm(m456,a20,h,h,2.440,-0.629,0.890,0.048).
atm(m456,a21,h,h,2.440,-0.629,-0.890,0.049).
atm(m456,a22,h,h,3.650,1.330,-0.890,0.049).
atm(m456,a23,h,h,3.650,1.330,0.890,0.049).
atm(m456,a24,h,h,4.860,-0.629,0.890,0.048).
atm(m456,a25,h,h,4.860,-0.629,-0.890,0.048).
atm(m456,a26,h,h,6.090,1.330,-0.890,0.050).
atm(m456,a27,h,h,6.090,1.330,0.890,0.050).
atm(m456,a28,h,h,7.300,-0.629,0.890,0.047).
atm(m456,a29,h,h,7.300,-0.629,-0.890,0.048).
atm(m456,a30,h,h,8.510,1.330,-0.890,0.053).
atm(m456,a31,h,h,8.510,1.330,0.890,0.052).
atm(m456,a32,h,h,9.740,-0.629,0.890,0.043).
atm(m456,a33,h,h,9.740,-0.629,-0.890,0.045).
atm(m456,a34,h,h,10.950,1.330,-0.890,0.073).
atm(m456,a35,h,h,10.950,1.330,0.890,0.068).
atm(m456,a36,h,h,12.161,-0.629,0.890,0.067).
atm(m456,a37,h,h,12.161,-0.629,-0.890,0.085).
atm(m456,a38,h,h,15.376,0.662,0.000,0.063).
atm(m456,a39,h,h,14.654,-0.586,0.833,0.054).
bond(m456,a1,a2,1).
bond(m456,a1,a15,1).
bond(m456,a1,a16,1).
bond(m456,a1,a17,1).
bond(m456,a2,a3,1).
bond(m456,a2,a18,1).
bond(m456,a2,a19,1).
bond(m456,a3,a4,1).
bond(m456,a3,a20,1).
bond(m456,a3,a21,1).
bond(m456,a4,a5,1).
bond(m456,a4,a22,1).
bond(m456,a4,a23,1).
bond(m456,a5,a6,1).
bond(m456,a5,a24,1).
bond(m456,a5,a25,1).
bond(m456,a6,a7,1).
bond(m456,a6,a26,1).
bond(m456,a6,a27,1).
bond(m456,a7,a8,1).
bond(m456,a7,a28,1).
bond(m456,a7,a29,1).
bond(m456,a8,a9,1).
bond(m456,a8,a30,1).
bond(m456,a8,a31,1).
bond(m456,a9,a10,1).
bond(m456,a9,a32,1).
bond(m456,a9,a33,1).
bond(m456,a10,a11,1).
bond(m456,a10,a34,1).
bond(m456,a10,a35,1).
bond(m456,a11,a12,1).
bond(m456,a11,a36,1).
bond(m456,a11,a37,1).
bond(m456,a12,a13,2).
bond(m456,a12,a14,1).
bond(m456,a14,a38,1).
bond(m456,a14,a39,1).
atm(m457,a1,n,nar,4.895,1.209,0.000,-0.056).
atm(m457,a2,c,car,4.218,0.040,0.000,-0.075).
atm(m457,a3,c,car,2.823,0.001,0.000,-0.092).
atm(m457,a4,c,car,2.104,1.199,-0.001,-0.129).
atm(m457,a5,c,c2,0.608,1.174,-0.002,0.324).
atm(m457,a6,o,o2,0.001,0.118,-0.001,-0.313).
atm(m457,a7,c,c3,-0.138,2.484,-0.003,-0.171).
atm(m457,a8,c,car,2.816,2.402,-0.002,-0.121).
atm(m457,a9,c,car,4.210,2.375,-0.001,-0.073).
atm(m457,a10,h,h,4.832,-0.869,0.001,0.123).
atm(m457,a11,h,h,2.300,-0.964,0.000,0.134).
atm(m457,a12,h,h,0.533,3.358,-0.003,0.060).
atm(m457,a13,h,h,-0.782,2.563,-0.889,0.072).
atm(m457,a14,h,h,-0.784,2.564,0.881,0.072).
atm(m457,a15,h,h,2.281,3.362,-0.003,0.123).
atm(m457,a16,h,h,4.817,3.288,-0.001,0.122).
bond(m457,a1,a2,ar).
bond(m457,a1,a9,ar).
bond(m457,a2,a3,ar).
bond(m457,a2,a10,1).
bond(m457,a3,a4,ar).
bond(m457,a3,a11,1).
bond(m457,a4,a5,1).
bond(m457,a4,a8,ar).
bond(m457,a5,a6,2).
bond(m457,a5,a7,1).
bond(m457,a7,a12,1).
bond(m457,a7,a13,1).
bond(m457,a7,a14,1).
bond(m457,a8,a9,ar).
bond(m457,a8,a15,1).
bond(m457,a9,a16,1).
atm(m458,a1,c,car,3.496,0.000,0.000,-0.033).
atm(m458,a2,c,car,2.106,0.002,0.018,-0.111).
atm(m458,a3,c,car,1.421,1.215,0.045,-0.106).
atm(m458,a4,cl,cl,-0.261,1.219,0.075,0.083).
atm(m458,a5,c,car,2.111,2.426,0.047,-0.110).
atm(m458,a6,c,car,3.500,2.420,0.020,-0.063).
atm(m458,a7,c,car,4.195,1.209,-0.003,-0.143).
atm(m458,a8,c,c2,5.682,1.176,0.039,0.401).
atm(m458,a9,o,o2,6.368,0.505,0.781,-0.329).
atm(m458,a10,o,o3,6.508,1.907,-0.769,-0.234).
atm(m458,a11,c,c3,5.958,2.759,-1.744,0.044).
atm(m458,a12,h,h,4.044,-0.950,-0.002,0.122).
atm(m458,a13,h,h,1.549,-0.942,0.018,0.123).
atm(m458,a14,h,h,1.558,3.371,0.071,0.122).
atm(m458,a15,h,h,4.059,3.368,-0.006,0.118).
atm(m458,a16,h,h,6.841,3.201,-2.213,0.056).
atm(m458,a17,h,h,5.370,2.208,-2.485,0.030).
atm(m458,a18,h,h,5.334,3.542,-1.288,0.028).
bond(m458,a1,a2,ar).
bond(m458,a1,a7,ar).
bond(m458,a1,a12,1).
bond(m458,a2,a3,ar).
bond(m458,a2,a13,1).
bond(m458,a3,a4,1).
bond(m458,a3,a5,ar).
bond(m458,a5,a6,ar).
bond(m458,a5,a14,1).
bond(m458,a6,a7,ar).
bond(m458,a6,a15,1).
bond(m458,a7,a8,1).
bond(m458,a8,a9,2).
bond(m458,a8,a10,1).
bond(m458,a10,a11,1).
bond(m458,a11,a16,1).
bond(m458,a11,a17,1).
bond(m458,a11,a18,1).
atm(m459,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m459,a2,c,c3,1.208,0.909,-0.022,-0.094).
atm(m459,a3,c,c3,2.501,0.112,0.032,-0.118).
atm(m459,a4,c,c3,3.705,1.049,0.008,0.046).
atm(m459,a5,o,o3,4.870,0.230,-0.011,-0.191).
atm(m459,a6,c,car,6.031,0.786,0.482,0.095).
atm(m459,a7,c,car,6.104,1.963,1.234,-0.190).
atm(m459,a8,c,car,7.340,2.398,1.699,-0.060).
atm(m459,a9,c,car,8.492,1.672,1.421,-0.143).
atm(m459,a10,c,car,8.413,0.499,0.675,-0.067).
atm(m459,a11,c,car,7.191,0.046,0.199,-0.143).
atm(m459,a12,h,h,-0.004,-0.688,-0.856,0.040).
atm(m459,a13,h,h,-0.030,-0.613,0.911,0.040).
atm(m459,a14,h,h,-0.933,0.577,-0.038,0.038).
atm(m459,a15,h,h,1.191,1.540,-0.933,0.049).
atm(m459,a16,h,h,1.164,1.616,0.831,0.047).
atm(m459,a17,h,h,2.523,-0.519,0.943,0.063).
atm(m459,a18,h,h,2.545,-0.597,-0.820,0.065).
atm(m459,a19,h,h,3.717,1.674,-0.906,0.041).
atm(m459,a20,h,h,3.693,1.740,0.879,0.047).
atm(m459,a21,h,h,5.190,2.530,1.459,0.119).
atm(m459,a22,h,h,7.401,3.319,2.288,0.100).
atm(m459,a23,h,h,9.461,2.021,1.790,0.106).
atm(m459,a24,h,h,9.323,-0.072,0.460,0.101).
atm(m459,a25,h,h,7.130,-0.878,-0.388,0.120).
bond(m459,a1,a2,1).
bond(m459,a1,a12,1).
bond(m459,a1,a13,1).
bond(m459,a1,a14,1).
bond(m459,a2,a3,1).
bond(m459,a2,a15,1).
bond(m459,a2,a16,1).
bond(m459,a3,a4,1).
bond(m459,a3,a17,1).
bond(m459,a3,a18,1).
bond(m459,a4,a5,1).
bond(m459,a4,a19,1).
bond(m459,a4,a20,1).
bond(m459,a5,a6,1).
bond(m459,a6,a7,ar).
bond(m459,a6,a11,ar).
bond(m459,a7,a8,ar).
bond(m459,a7,a21,1).
bond(m459,a8,a9,ar).
bond(m459,a8,a22,1).
bond(m459,a9,a10,ar).
bond(m459,a9,a23,1).
bond(m459,a10,a11,ar).
bond(m459,a10,a24,1).
bond(m459,a11,a25,1).
atm(m45,a1,c,c3,2.099,2.424,0.000,-0.379).
atm(m45,a2,s,so,1.088,0.957,0.362,0.942).
atm(m45,a3,o,o2,1.175,0.796,1.908,-0.694).
atm(m45,a4,c,c3,-0.564,1.656,0.069,-0.379).
atm(m45,a5,h,h,3.161,2.151,0.024,0.092).
atm(m45,a6,h,h,1.880,2.815,-1.000,0.077).
atm(m45,a7,h,h,1.969,3.245,0.715,0.086).
atm(m45,a8,h,h,-0.848,2.446,0.775,0.086).
atm(m45,a9,h,h,-1.318,0.865,0.161,0.092).
atm(m45,a10,h,h,-0.640,2.071,-0.942,0.077).
bond(m45,a1,a2,1).
bond(m45,a1,a5,1).
bond(m45,a1,a6,1).
bond(m45,a1,a7,1).
bond(m45,a2,a3,2).
bond(m45,a2,a4,1).
bond(m45,a4,a8,1).
bond(m45,a4,a9,1).
bond(m45,a4,a10,1).
atm(m460,a1,c,car,4.892,0.000,0.000,-0.047).
atm(m460,a2,c,car,3.502,-0.001,-0.017,-0.078).
atm(m460,a3,c,car,2.812,1.214,-0.053,0.057).
atm(m460,a4,c,c1,1.387,1.217,-0.076,-0.109).
atm(m460,a5,n,n1,0.228,1.220,-0.095,-0.041).
atm(m460,a6,c,car,3.507,2.427,-0.066,-0.077).
atm(m460,a7,c,car,4.895,2.419,-0.040,-0.078).
atm(m460,a8,c,car,5.590,1.209,-0.009,-0.121).
atm(m460,a9,c,c2,7.078,1.176,-0.052,0.397).
atm(m460,a10,o,o2,7.760,0.505,-0.797,-0.324).
atm(m460,a11,o,o3,7.905,1.908,0.753,-0.231).
atm(m460,a12,c,c3,7.357,2.767,1.723,0.043).
atm(m460,a13,h,h,5.441,-0.950,0.009,0.126).
atm(m460,a14,h,h,2.954,-0.950,-0.008,0.122).
atm(m460,a15,h,h,2.963,3.378,-0.097,0.121).
atm(m460,a16,h,h,5.456,3.367,-0.020,0.122).
atm(m460,a17,h,h,8.241,3.212,2.186,0.059).
atm(m460,a18,h,h,6.731,3.546,1.262,0.028).
atm(m460,a19,h,h,6.771,2.220,2.470,0.030).
bond(m460,a1,a2,ar).
bond(m460,a1,a8,ar).
bond(m460,a1,a13,1).
bond(m460,a2,a3,ar).
bond(m460,a2,a14,1).
bond(m460,a3,a4,1).
bond(m460,a3,a6,ar).
bond(m460,a4,a5,3).
bond(m460,a6,a7,ar).
bond(m460,a6,a15,1).
bond(m460,a7,a8,ar).
bond(m460,a7,a16,1).
bond(m460,a8,a9,1).
bond(m460,a9,a10,2).
bond(m460,a9,a11,1).
bond(m460,a11,a12,1).
bond(m460,a12,a17,1).
bond(m460,a12,a18,1).
bond(m460,a12,a19,1).
atm(m461,a1,o,o3,0.000,2.425,0.000,-0.206).
atm(m461,a2,c,car,1.282,2.764,0.321,0.092).
atm(m461,a3,c,car,1.913,3.971,-0.066,0.038).
atm(m461,a4,o,o3,1.170,4.845,-0.814,-0.233).
atm(m461,a5,c,car,3.235,4.218,0.320,-0.187).
atm(m461,a6,cl,cl,4.002,5.647,-0.131,0.107).
atm(m461,a7,c,car,3.931,3.279,1.084,-0.136).
atm(m461,a8,cl,cl,5.513,3.585,1.541,0.124).
atm(m461,a9,c,car,3.311,2.091,1.465,-0.141).
atm(m461,a10,cl,cl,4.152,0.969,2.382,0.125).
atm(m461,a11,c,car,1.991,1.829,1.089,-0.153).
atm(m461,a12,cl,cl,1.274,0.391,1.563,0.137).
atm(m461,a13,h,h,-0.382,3.123,-0.516,0.216).
atm(m461,a14,h,h,1.712,5.603,-1.001,0.217).
bond(m461,a1,a2,1).
bond(m461,a1,a13,1).
bond(m461,a2,a3,ar).
bond(m461,a2,a11,ar).
bond(m461,a3,a4,1).
bond(m461,a3,a5,ar).
bond(m461,a4,a14,1).
bond(m461,a5,a6,1).
bond(m461,a5,a7,ar).
bond(m461,a7,a8,1).
bond(m461,a7,a9,ar).
bond(m461,a9,a10,1).
bond(m461,a9,a11,ar).
bond(m461,a11,a12,1).
atm(m462,a1,c,car,2.800,1.211,0.000,-0.063).
atm(m462,a2,c,car,2.089,2.404,-0.098,-0.159).
atm(m462,a3,c,c2,0.598,2.345,-0.133,0.338).
atm(m462,a4,o,o2,-0.041,2.256,-1.160,-0.278).
atm(m462,a5,c,c3,-0.056,2.385,1.218,-0.121).
atm(m462,a6,br,br,1.073,1.252,2.328,-0.080).
atm(m462,a7,c,car,2.781,3.624,-0.176,0.091).
atm(m462,a8,o,o3,1.998,4.756,-0.318,-0.193).
atm(m462,a9,c,c3,2.615,5.985,-0.014,0.048).
atm(m462,a10,c,car,4.181,3.647,-0.156,-0.150).
atm(m462,a11,c,car,4.891,2.461,-0.051,-0.124).
atm(m462,a12,c,car,4.200,1.246,0.025,0.048).
atm(m462,a13,o,o3,4.816,0.016,0.188,-0.188).
atm(m462,a14,c,c3,6.160,-0.061,-0.225,0.046).
atm(m462,a15,h,h,2.267,0.252,0.056,0.132).
atm(m462,a16,h,h,-0.056,3.400,1.645,0.096).
atm(m462,a17,h,h,-1.083,1.988,1.242,0.095).
atm(m462,a18,h,h,3.623,6.079,-0.445,0.034).
atm(m462,a19,h,h,1.937,6.716,-0.462,0.053).
atm(m462,a20,h,h,2.673,6.131,1.070,0.027).
atm(m462,a21,h,h,4.709,4.609,-0.230,0.121).
atm(m462,a22,h,h,5.991,2.463,-0.027,0.119).
atm(m462,a23,h,h,6.764,0.790,0.123,0.030).
atm(m462,a24,h,h,6.506,-0.990,0.235,0.051).
atm(m462,a25,h,h,6.228,-0.128,-1.316,0.028).
bond(m462,a1,a2,ar).
bond(m462,a1,a12,ar).
bond(m462,a1,a15,1).
bond(m462,a2,a3,1).
bond(m462,a2,a7,ar).
bond(m462,a3,a4,2).
bond(m462,a3,a5,1).
bond(m462,a5,a6,1).
bond(m462,a5,a16,1).
bond(m462,a5,a17,1).
bond(m462,a7,a8,1).
bond(m462,a7,a10,ar).
bond(m462,a8,a9,1).
bond(m462,a9,a18,1).
bond(m462,a9,a19,1).
bond(m462,a9,a20,1).
bond(m462,a10,a11,ar).
bond(m462,a10,a21,1).
bond(m462,a11,a12,ar).
bond(m462,a11,a22,1).
bond(m462,a12,a13,1).
bond(m462,a13,a14,1).
bond(m462,a14,a23,1).
bond(m462,a14,a24,1).
bond(m462,a14,a25,1).
atm(m463,a1,c,c3,0.564,4.198,0.000,-0.106).
atm(m463,a2,c,c3,1.892,3.478,-0.060,-0.131).
atm(m463,a3,c,c3,2.922,4.273,-0.850,-0.076).
atm(m463,a4,c,c3,4.167,3.500,-1.197,-0.234).
atm(m463,a5,c,c3,4.678,1.866,0.177,0.284).
atm(m463,a6,c,c3,6.678,1.183,-0.389,-0.220).
atm(m463,a7,c,c3,6.657,0.507,-1.732,-0.087).
atm(m463,a8,c,c3,6.499,1.481,-2.892,-0.116).
atm(m463,a9,c,c3,6.514,0.762,-4.222,-0.108).
atm(m463,a10,c,c3,4.501,2.577,2.241,-0.225).
atm(m463,a11,c,c3,5.586,3.538,2.638,-0.084).
atm(m463,a12,c,c3,6.869,2.842,3.072,-0.105).
atm(m463,a13,c,c3,7.925,3.842,3.490,-0.109).
atm(m463,a14,c,c3,3.222,0.260,-0.145,-0.239).
atm(m463,a15,c,c3,3.170,-0.666,1.036,-0.087).
atm(m463,a16,c,c3,2.085,-1.729,0.902,-0.096).
atm(m463,a17,c,c3,2.452,-2.819,-0.079,-0.113).
atm(m463,a18,h,h,0.665,5.195,0.449,0.037).
atm(m463,a19,h,h,0.130,4.334,-1.000,0.038).
atm(m463,a20,h,h,-0.165,3.639,0.600,0.037).
atm(m463,a21,h,h,2.272,3.304,0.977,0.063).
atm(m463,a22,h,h,1.756,2.462,-0.500,0.066).
atm(m463,a23,h,h,2.459,4.654,-1.785,0.049).
atm(m463,a24,h,h,3.188,5.182,-0.272,0.048).
atm(m463,a25,h,h,4.113,3.000,-2.182,0.068).
atm(m463,a26,h,h,5.046,4.160,-1.231,0.063).
atm(m463,a27,h,h,7.337,2.063,-0.372,0.068).
atm(m463,a28,h,h,7.019,0.500,0.403,0.064).
atm(m463,a29,h,h,7.597,-0.069,-1.869,0.050).
atm(m463,a30,h,h,5.846,-0.251,-1.765,0.056).
atm(m463,a31,h,h,5.549,2.059,-2.781,0.063).
atm(m463,a32,h,h,7.309,2.237,-2.864,0.051).
atm(m463,a33,h,h,7.455,0.219,-4.379,0.037).
atm(m463,a34,h,h,5.699,0.029,-4.297,0.038).
atm(m463,a35,h,h,6.399,1.466,-5.056,0.037).
atm(m463,a36,h,h,3.503,3.055,2.253,0.071).
atm(m463,a37,h,h,4.458,1.695,2.897,0.069).
atm(m463,a38,h,h,5.799,4.241,1.807,0.055).
atm(m463,a39,h,h,5.224,4.178,3.471,0.050).
atm(m463,a40,h,h,6.658,2.146,3.908,0.050).
atm(m463,a41,h,h,7.253,2.209,2.245,0.055).
atm(m463,a42,h,h,8.849,3.338,3.802,0.037).
atm(m463,a43,h,h,8.184,4.525,2.671,0.038).
atm(m463,a44,h,h,7.587,4.459,4.334,0.038).
atm(m463,a45,h,h,2.258,0.771,-0.327,0.074).
atm(m463,a46,h,h,3.504,-0.261,-1.071,0.070).
atm(m463,a47,h,h,4.154,-1.158,1.181,0.055).
atm(m463,a48,h,h,2.988,-0.080,1.961,0.051).
atm(m463,a49,h,h,1.894,-2.180,1.896,0.046).
atm(m463,a50,h,h,1.129,-1.256,0.601,0.049).
atm(m463,a51,h,h,3.378,-3.333,0.213,0.038).
atm(m463,a52,h,h,1.662,-3.579,-0.144,0.037).
atm(m463,a53,h,h,2.607,-2.422,-1.092,0.040).
bond(m463,a1,a2,1).
bond(m463,a1,a18,1).
bond(m463,a1,a19,1).
bond(m463,a1,a20,1).
bond(m463,a2,a3,1).
bond(m463,a2,a21,1).
bond(m463,a2,a22,1).
bond(m463,a3,a4,1).
bond(m463,a3,a23,1).
bond(m463,a3,a24,1).
bond(m463,a4,a5,1).
bond(m463,a4,a25,1).
bond(m463,a4,a26,1).
bond(m463,a5,a6,1).
bond(m463,a5,a10,1).
bond(m463,a5,a14,1).
bond(m463,a6,a7,1).
bond(m463,a6,a27,1).
bond(m463,a6,a28,1).
bond(m463,a7,a8,1).
bond(m463,a7,a29,1).
bond(m463,a7,a30,1).
bond(m463,a8,a9,1).
bond(m463,a8,a31,1).
bond(m463,a8,a32,1).
bond(m463,a9,a33,1).
bond(m463,a9,a34,1).
bond(m463,a9,a35,1).
bond(m463,a10,a11,1).
bond(m463,a10,a36,1).
bond(m463,a10,a37,1).
bond(m463,a11,a12,1).
bond(m463,a11,a38,1).
bond(m463,a11,a39,1).
bond(m463,a12,a13,1).
bond(m463,a12,a40,1).
bond(m463,a12,a41,1).
bond(m463,a13,a42,1).
bond(m463,a13,a43,1).
bond(m463,a13,a44,1).
bond(m463,a14,a15,1).
bond(m463,a14,a45,1).
bond(m463,a14,a46,1).
bond(m463,a15,a16,1).
bond(m463,a15,a47,1).
bond(m463,a15,a48,1).
bond(m463,a16,a17,1).
bond(m463,a16,a49,1).
bond(m463,a16,a50,1).
bond(m463,a17,a51,1).
bond(m463,a17,a52,1).
bond(m463,a17,a53,1).
atm(m464,a1,c,c1,4.204,1.400,0.000,-0.161).
atm(m464,a2,c,c1,3.014,1.404,-0.041,-0.216).
atm(m464,a3,c,c3,1.547,1.405,-0.064,0.251).
atm(m464,a4,c,c3,1.034,2.039,1.238,-0.128).
atm(m464,a5,o,o3,1.064,0.068,-0.085,-0.306).
atm(m464,a6,c,c3,1.061,2.220,-1.307,-0.110).
atm(m464,a7,c,c3,-0.456,2.305,-1.356,-0.119).
atm(m464,a8,c,c3,1.589,1.610,-2.596,-0.117).
atm(m464,a9,h,h,5.268,1.396,0.037,0.195).
atm(m464,a10,h,h,1.216,1.391,2.105,0.060).
atm(m464,a11,h,h,-0.050,2.228,1.176,0.056).
atm(m464,a12,h,h,1.530,2.999,1.426,0.048).
atm(m464,a13,h,h,1.197,-0.245,-0.975,0.196).
atm(m464,a14,h,h,1.472,3.253,-1.199,0.075).
atm(m464,a15,h,h,-0.789,3.028,-2.111,0.042).
atm(m464,a16,h,h,-0.911,1.336,-1.603,0.047).
atm(m464,a17,h,h,-0.864,2.619,-0.381,0.053).
atm(m464,a18,h,h,2.682,1.694,-2.663,0.050).
atm(m464,a19,h,h,1.337,0.538,-2.657,0.036).
atm(m464,a20,h,h,1.161,2.104,-3.477,0.048).
bond(m464,a1,a2,3).
bond(m464,a1,a9,1).
bond(m464,a2,a3,1).
bond(m464,a3,a4,1).
bond(m464,a3,a5,1).
bond(m464,a3,a6,1).
bond(m464,a4,a10,1).
bond(m464,a4,a11,1).
bond(m464,a4,a12,1).
bond(m464,a5,a13,1).
bond(m464,a6,a7,1).
bond(m464,a6,a8,1).
bond(m464,a6,a14,1).
bond(m464,a7,a15,1).
bond(m464,a7,a16,1).
bond(m464,a7,a17,1).
bond(m464,a8,a18,1).
bond(m464,a8,a19,1).
bond(m464,a8,a20,1).
atm(m465,a1,c,car,6.541,1.132,0.000,-0.077).
atm(m465,a2,c,car,5.734,-0.010,-0.001,-0.130).
atm(m465,a3,c,car,4.349,0.095,0.000,-0.045).
atm(m465,a4,c,car,3.783,1.364,0.000,-0.076).
atm(m465,a5,c,car,2.401,1.800,0.000,-0.070).
atm(m465,a6,c,car,1.199,1.100,0.000,-0.044).
atm(m465,a7,c,car,0.015,1.825,0.000,-0.129).
atm(m465,a8,c,car,5.996,2.408,0.001,-0.119).
atm(m465,a9,c,car,4.605,2.526,0.001,-0.103).
atm(m465,a10,n,npl3,3.759,3.681,0.001,0.296).
atm(m465,a11,c,car,2.403,3.220,0.001,-0.117).
atm(m465,a12,c,car,1.209,3.942,0.001,-0.114).
atm(m465,a13,c,car,0.022,3.224,0.001,-0.077).
atm(m465,a14,c,c2,4.096,5.057,0.002,-0.141).
atm(m465,a15,c,c2,5.331,5.561,0.002,-0.222).
atm(m465,a16,h,h,7.630,1.016,0.000,0.100).
atm(m465,a17,h,h,6.203,-0.999,-0.001,0.104).
atm(m465,a18,h,h,3.710,-0.794,-0.001,0.106).
atm(m465,a19,h,h,1.198,0.005,-0.001,0.107).
atm(m465,a20,h,h,-0.943,1.295,0.000,0.104).
atm(m465,a21,h,h,6.643,3.295,0.001,0.119).
atm(m465,a22,h,h,1.211,5.038,0.002,0.111).
atm(m465,a23,h,h,-0.931,3.763,0.001,0.101).
atm(m465,a24,h,h,3.209,5.712,0.002,0.119).
atm(m465,a25,h,h,6.244,4.967,0.002,0.103).
atm(m465,a26,h,h,5.499,6.634,0.002,0.094).
bond(m465,a1,a2,ar).
bond(m465,a1,a8,ar).
bond(m465,a1,a16,1).
bond(m465,a2,a3,ar).
bond(m465,a2,a17,1).
bond(m465,a3,a4,ar).
bond(m465,a3,a18,1).
bond(m465,a4,a5,ar).
bond(m465,a4,a9,ar).
bond(m465,a5,a6,ar).
bond(m465,a5,a11,ar).
bond(m465,a6,a7,ar).
bond(m465,a6,a19,1).
bond(m465,a7,a13,ar).
bond(m465,a7,a20,1).
bond(m465,a8,a9,ar).
bond(m465,a8,a21,1).
bond(m465,a9,a10,ar).
bond(m465,a10,a11,ar).
bond(m465,a10,a14,1).
bond(m465,a11,a12,ar).
bond(m465,a12,a13,ar).
bond(m465,a12,a22,1).
bond(m465,a13,a23,1).
bond(m465,a14,a15,2).
bond(m465,a14,a24,1).
bond(m465,a15,a25,1).
bond(m465,a15,a26,1).
atm(m466,a1,c,car,2.426,2.106,0.000,-0.186).
atm(m466,a2,c,car,1.523,2.912,-0.703,-0.047).
atm(m466,a3,n,npl3,0.502,2.306,-1.498,0.072).
atm(m466,a4,c,car,1.674,4.307,-0.707,-0.183).
atm(m466,a5,c,car,2.728,4.889,-0.017,-0.033).
atm(m466,a6,c,car,3.636,4.108,0.686,-0.220).
atm(m466,a7,c,car,3.480,2.717,0.690,0.120).
atm(m466,a8,o,o3,4.279,1.846,1.407,-0.190).
atm(m466,a9,c,c3,5.555,2.317,1.813,0.097).
atm(m466,a10,c,car,6.605,2.099,0.761,-0.128).
atm(m466,a11,c,car,7.087,0.814,0.513,-0.072).
atm(m466,a12,c,car,8.069,0.612,-0.451,-0.107).
atm(m466,a13,c,car,8.575,1.691,-1.168,-0.092).
atm(m466,a14,c,car,8.096,2.974,-0.923,-0.105).
atm(m466,a15,c,car,7.112,3.179,0.038,-0.082).
atm(m466,a16,h,h,2.320,1.014,0.015,0.127).
atm(m466,a17,h,h,0.236,1.415,-1.142,0.032).
atm(m466,a18,h,h,-0.287,2.903,-1.602,0.031).
atm(m466,a19,h,h,0.969,4.944,-1.255,0.112).
atm(m466,a20,h,h,2.846,5.978,-0.023,0.098).
atm(m466,a21,h,h,4.471,4.566,1.235,0.119).
atm(m466,a22,h,h,5.517,3.382,2.129,0.053).
atm(m466,a23,h,h,5.744,1.692,2.704,0.062).
atm(m466,a24,h,h,6.687,-0.036,1.077,0.108).
atm(m466,a25,h,h,8.444,-0.398,-0.645,0.104).
atm(m466,a26,h,h,9.348,1.531,-1.926,0.103).
atm(m466,a27,h,h,8.491,3.823,-1.490,0.104).
atm(m466,a28,h,h,6.729,4.190,0.223,0.105).
bond(m466,a1,a2,ar).
bond(m466,a1,a7,ar).
bond(m466,a1,a16,1).
bond(m466,a2,a3,1).
bond(m466,a2,a4,ar).
bond(m466,a3,a17,1).
bond(m466,a3,a18,1).
bond(m466,a4,a5,ar).
bond(m466,a4,a19,1).
bond(m466,a5,a6,ar).
bond(m466,a5,a20,1).
bond(m466,a6,a7,ar).
bond(m466,a6,a21,1).
bond(m466,a7,a8,1).
bond(m466,a8,a9,1).
bond(m466,a9,a10,1).
bond(m466,a9,a22,1).
bond(m466,a9,a23,1).
bond(m466,a10,a11,ar).
bond(m466,a10,a15,ar).
bond(m466,a11,a12,ar).
bond(m466,a11,a24,1).
bond(m466,a12,a13,ar).
bond(m466,a12,a25,1).
bond(m466,a13,a14,ar).
bond(m466,a13,a26,1).
bond(m466,a14,a15,ar).
bond(m466,a14,a27,1).
bond(m466,a15,a28,1).
atm(m467,a1,c,c3,0.000,2.336,0.000,-0.129).
atm(m467,a2,c,c3,1.161,1.444,0.429,0.091).
atm(m467,a3,c,c3,0.656,0.241,1.218,-0.129).
atm(m467,a4,o,o3,2.020,2.234,1.323,-0.163).
atm(m467,a5,c,car,3.269,2.292,0.755,0.091).
atm(m467,a6,c,car,4.380,2.946,1.294,0.013).
atm(m467,a7,o,o3,4.302,3.749,2.425,-0.146).
atm(m467,a8,c,c2,4.252,3.172,3.663,0.334).
atm(m467,a9,o,o2,3.977,4.004,4.504,-0.358).
atm(m467,a10,n,nam,4.443,1.758,3.917,-0.039).
atm(m467,a11,c,c3,5.784,1.223,3.618,-0.104).
atm(m467,a12,c,car,5.583,2.919,0.568,-0.088).
atm(m467,a13,c,car,5.659,2.245,-0.644,-0.130).
atm(m467,a14,c,car,4.550,1.579,-1.178,-0.049).
atm(m467,a15,c,car,3.363,1.608,-0.474,-0.157).
atm(m467,a16,c,c3,2.034,1.010,-0.787,-0.064).
atm(m467,a17,h,h,0.347,3.218,-0.552,0.055).
atm(m467,a18,h,h,-0.689,1.782,-0.651,0.048).
atm(m467,a19,h,h,-0.573,2.693,0.866,0.058).
atm(m467,a20,h,h,1.482,-0.401,1.554,0.054).
atm(m467,a21,h,h,0.097,0.552,2.110,0.058).
atm(m467,a22,h,h,-0.013,-0.371,0.600,0.048).
atm(m467,a23,h,h,4.174,1.543,4.855,0.077).
atm(m467,a24,h,h,5.753,0.133,3.743,0.054).
atm(m467,a25,h,h,6.054,1.442,2.574,0.063).
atm(m467,a26,h,h,6.575,1.623,4.269,0.034).
atm(m467,a27,h,h,6.462,3.445,0.958,0.116).
atm(m467,a28,h,h,6.605,2.237,-1.196,0.108).
atm(m467,a29,h,h,4.622,1.051,-2.133,0.108).
atm(m467,a30,h,h,1.631,1.390,-1.744,0.073).
atm(m467,a31,h,h,2.093,-0.090,-0.885,0.071).
bond(m467,a1,a2,1).
bond(m467,a1,a17,1).
bond(m467,a1,a18,1).
bond(m467,a1,a19,1).
bond(m467,a2,a3,1).
bond(m467,a2,a4,1).
bond(m467,a2,a16,1).
bond(m467,a3,a20,1).
bond(m467,a3,a21,1).
bond(m467,a3,a22,1).
bond(m467,a4,a5,1).
bond(m467,a5,a6,ar).
bond(m467,a5,a15,ar).
bond(m467,a6,a7,1).
bond(m467,a6,a12,ar).
bond(m467,a7,a8,1).
bond(m467,a8,a9,2).
bond(m467,a8,a10,1).
bond(m467,a10,a11,1).
bond(m467,a10,a23,1).
bond(m467,a11,a24,1).
bond(m467,a11,a25,1).
bond(m467,a11,a26,1).
bond(m467,a12,a13,ar).
bond(m467,a12,a27,1).
bond(m467,a13,a14,ar).
bond(m467,a13,a28,1).
bond(m467,a14,a15,ar).
bond(m467,a14,a29,1).
bond(m467,a15,a16,1).
bond(m467,a16,a30,1).
bond(m467,a16,a31,1).
atm(m468,a1,c,c3,0.513,2.426,0.000,-0.117).
atm(m468,a2,c,c3,1.397,1.175,0.014,0.097).
atm(m468,a3,c,c3,2.045,0.975,-1.361,-0.150).
atm(m468,a4,c,c3,0.552,-0.051,0.377,-0.144).
atm(m468,a5,o,o3,2.393,1.452,1.020,-0.260).
atm(m468,a6,c,c3,3.339,0.438,1.226,0.045).
atm(m468,a7,h,h,1.095,3.334,-0.206,0.051).
atm(m468,a8,h,h,-0.258,2.342,-0.777,0.043).
atm(m468,a9,h,h,0.004,2.572,0.962,0.050).
atm(m468,a10,h,h,2.495,1.905,-1.734,0.052).
atm(m468,a11,h,h,2.846,0.219,-1.311,0.050).
atm(m468,a12,h,h,1.307,0.641,-2.100,0.049).
atm(m468,a13,h,h,1.130,-0.982,0.300,0.044).
atm(m468,a14,h,h,0.165,0.016,1.402,0.053).
atm(m468,a15,h,h,-0.309,-0.142,-0.298,0.048).
atm(m468,a16,h,h,4.125,0.938,1.797,0.044).
atm(m468,a17,h,h,2.918,-0.389,1.810,0.018).
atm(m468,a18,h,h,3.743,0.045,0.280,0.026).
bond(m468,a1,a2,1).
bond(m468,a1,a7,1).
bond(m468,a1,a8,1).
bond(m468,a1,a9,1).
bond(m468,a2,a3,1).
bond(m468,a2,a4,1).
bond(m468,a2,a5,1).
bond(m468,a3,a10,1).
bond(m468,a3,a11,1).
bond(m468,a3,a12,1).
bond(m468,a4,a13,1).
bond(m468,a4,a14,1).
bond(m468,a4,a15,1).
bond(m468,a5,a6,1).
bond(m468,a6,a16,1).
bond(m468,a6,a17,1).
bond(m468,a6,a18,1).
atm(m469,a1,c,c2,0.000,0.000,0.000,-0.174).
atm(m469,a2,c,c2,1.146,0.672,0.000,-0.136).
atm(m469,a3,c,c3,2.471,-0.008,0.000,-0.070).
atm(m469,a4,c,c3,3.622,0.986,-0.002,-0.101).
atm(m469,a5,c,c3,4.965,0.272,-0.001,-0.102).
atm(m469,a6,c,c3,6.117,1.263,-0.003,-0.102).
atm(m469,a7,c,c3,7.459,0.550,-0.001,-0.101).
atm(m469,a8,c,c3,8.611,1.543,-0.004,-0.070).
atm(m469,a9,c,c2,9.936,0.864,-0.001,-0.136).
atm(m469,a10,c,c2,11.082,1.535,-0.001,-0.174).
atm(m469,a11,h,h,-0.051,-1.085,0.000,0.081).
atm(m469,a12,h,h,-0.968,0.491,0.000,0.080).
atm(m469,a13,h,h,1.154,1.768,0.000,0.099).
atm(m469,a14,h,h,2.546,-0.673,0.884,0.058).
atm(m469,a15,h,h,2.545,-0.676,-0.883,0.058).
atm(m469,a16,h,h,3.548,1.651,-0.886,0.052).
atm(m469,a17,h,h,3.548,1.654,0.879,0.052).
atm(m469,a18,h,h,5.039,-0.393,0.883,0.051).
atm(m469,a19,h,h,5.039,-0.397,-0.882,0.051).
atm(m469,a20,h,h,6.043,1.928,-0.887,0.051).
atm(m469,a21,h,h,6.043,1.932,0.878,0.051).
atm(m469,a22,h,h,7.534,-0.115,0.883,0.052).
atm(m469,a23,h,h,7.534,-0.119,-0.882,0.052).
atm(m469,a24,h,h,8.537,2.207,-0.889,0.058).
atm(m469,a25,h,h,8.536,2.212,0.878,0.058).
atm(m469,a26,h,h,9.928,-0.233,0.001,0.099).
atm(m469,a27,h,h,12.050,1.044,0.000,0.080).
atm(m469,a28,h,h,11.133,2.620,-0.003,0.081).
bond(m469,a1,a2,2).
bond(m469,a1,a11,1).
bond(m469,a1,a12,1).
bond(m469,a2,a3,1).
bond(m469,a2,a13,1).
bond(m469,a3,a4,1).
bond(m469,a3,a14,1).
bond(m469,a3,a15,1).
bond(m469,a4,a5,1).
bond(m469,a4,a16,1).
bond(m469,a4,a17,1).
bond(m469,a5,a6,1).
bond(m469,a5,a18,1).
bond(m469,a5,a19,1).
bond(m469,a6,a7,1).
bond(m469,a6,a20,1).
bond(m469,a6,a21,1).
bond(m469,a7,a8,1).
bond(m469,a7,a22,1).
bond(m469,a7,a23,1).
bond(m469,a8,a9,1).
bond(m469,a8,a24,1).
bond(m469,a8,a25,1).
bond(m469,a9,a10,2).
bond(m469,a9,a26,1).
bond(m469,a10,a27,1).
bond(m469,a10,a28,1).
atm(m46,a1,cl,cl,1.326,3.363,1.578,0.069).
atm(m46,a2,c,c3,-0.234,3.146,0.806,-0.206).
atm(m46,a3,cl,cl,-1.395,4.211,1.575,0.069).
atm(m46,a4,cl,cl,-0.092,3.594,-0.883,0.069).
atm(m46,a5,c,c3,-0.681,1.707,0.928,-0.206).
atm(m46,a6,cl,cl,0.487,0.643,0.166,0.069).
atm(m46,a7,cl,cl,-2.236,1.490,0.149,0.069).
atm(m46,a8,cl,cl,-0.832,1.259,2.616,0.069).
bond(m46,a1,a2,1).
bond(m46,a2,a3,1).
bond(m46,a2,a4,1).
bond(m46,a2,a5,1).
bond(m46,a5,a6,1).
bond(m46,a5,a7,1).
bond(m46,a5,a8,1).
atm(m470,a1,c,car,3.503,0.000,0.000,-0.013).
atm(m470,a2,c,car,2.115,-0.004,0.007,-0.209).
atm(m470,a3,c,car,1.424,1.216,-0.002,0.117).
atm(m470,a4,o,o3,0.061,1.298,0.004,-0.223).
atm(m470,a5,c,car,2.116,2.436,-0.016,-0.153).
atm(m470,a6,c,car,3.503,2.431,-0.022,-0.038).
atm(m470,a7,c,car,4.200,1.216,-0.014,-0.127).
atm(m470,a8,n,n2,5.640,1.100,-0.021,-0.015).
atm(m470,a9,n,n2,6.338,2.116,-0.012,-0.031).
atm(m470,a10,c,car,7.780,1.998,-0.019,-0.081).
atm(m470,a11,c,car,8.480,3.212,-0.017,-0.060).
atm(m470,a12,c,car,9.869,3.201,-0.023,-0.113).
atm(m470,a13,c,car,10.562,1.995,-0.031,-0.086).
atm(m470,a14,c,car,9.865,0.791,-0.034,-0.109).
atm(m470,a15,c,car,8.474,0.783,-0.028,-0.080).
atm(m470,a16,h,h,4.046,-0.953,0.006,0.114).
atm(m470,a17,h,h,1.573,-0.957,0.018,0.114).
atm(m470,a18,h,h,-0.287,0.415,0.013,0.199).
atm(m470,a19,h,h,1.565,3.383,-0.022,0.125).
atm(m470,a20,h,h,4.039,3.388,-0.033,0.121).
atm(m470,a21,h,h,7.940,4.167,-0.010,0.116).
atm(m470,a22,h,h,10.420,4.147,-0.020,0.105).
atm(m470,a23,h,h,11.657,1.993,-0.036,0.103).
atm(m470,a24,h,h,10.413,-0.157,-0.040,0.105).
atm(m470,a25,h,h,7.940,-0.175,-0.030,0.120).
bond(m470,a1,a2,ar).
bond(m470,a1,a7,ar).
bond(m470,a1,a16,1).
bond(m470,a2,a3,ar).
bond(m470,a2,a17,1).
bond(m470,a3,a4,1).
bond(m470,a3,a5,ar).
bond(m470,a4,a18,1).
bond(m470,a5,a6,ar).
bond(m470,a5,a19,1).
bond(m470,a6,a7,ar).
bond(m470,a6,a20,1).
bond(m470,a7,a8,1).
bond(m470,a8,a9,2).
bond(m470,a9,a10,1).
bond(m470,a10,a11,ar).
bond(m470,a10,a15,ar).
bond(m470,a11,a12,ar).
bond(m470,a11,a21,1).
bond(m470,a12,a13,ar).
bond(m470,a12,a22,1).
bond(m470,a13,a14,ar).
bond(m470,a13,a23,1).
bond(m470,a14,a15,ar).
bond(m470,a14,a24,1).
bond(m470,a15,a25,1).
atm(m471,a1,c,car,3.500,1.211,0.000,-0.003).
atm(m471,a2,c,car,2.115,1.205,0.018,-0.249).
atm(m471,a3,i,i,1.241,-0.559,0.015,0.073).
atm(m471,a4,c,car,1.373,2.388,0.036,0.180).
atm(m471,a5,o,o3,0.024,2.517,0.054,-0.190).
atm(m471,a6,c,car,2.089,3.593,0.036,-0.216).
atm(m471,a7,i,i,1.069,5.270,0.062,0.101).
atm(m471,a8,c,car,3.466,3.643,0.019,-0.004).
atm(m471,a9,c,car,4.179,2.435,0.001,-0.010).
atm(m471,a10,c,c1,5.601,2.454,-0.017,-0.094).
atm(m471,a11,n,n1,6.761,2.471,-0.032,-0.058).
atm(m471,a12,h,h,4.046,0.260,-0.014,0.131).
atm(m471,a13,h,h,-0.373,1.654,0.052,0.207).
atm(m471,a14,h,h,3.976,4.613,0.020,0.132).
bond(m471,a1,a2,ar).
bond(m471,a1,a9,ar).
bond(m471,a1,a12,1).
bond(m471,a2,a3,1).
bond(m471,a2,a4,ar).
bond(m471,a4,a5,1).
bond(m471,a4,a6,ar).
bond(m471,a5,a13,1).
bond(m471,a6,a7,1).
bond(m471,a6,a8,ar).
bond(m471,a8,a9,ar).
bond(m471,a8,a14,1).
bond(m471,a9,a10,1).
bond(m471,a10,a11,3).
atm(m472,a1,c,car,3.500,1.211,0.000,-0.002).
atm(m472,a2,c,car,2.118,1.235,-0.024,-0.222).
atm(m472,a3,br,br,1.230,-0.404,0.026,0.041).
atm(m472,a4,c,car,1.398,2.428,-0.083,0.170).
atm(m472,a5,o,o3,0.052,2.571,-0.112,-0.187).
atm(m472,a6,c,car,2.134,3.615,-0.118,-0.188).
atm(m472,a7,br,br,1.152,5.190,-0.198,0.067).
atm(m472,a8,c,car,3.510,3.644,-0.096,-0.001).
atm(m472,a9,c,car,4.200,2.423,-0.036,-0.005).
atm(m472,a10,c,c1,5.622,2.417,-0.012,-0.098).
atm(m472,a11,n,n1,6.782,2.413,0.007,-0.051).
atm(m472,a12,h,h,4.023,0.248,0.047,0.133).
atm(m472,a13,h,h,-0.347,1.709,-0.084,0.210).
atm(m472,a14,h,h,4.040,4.603,-0.126,0.133).
bond(m472,a1,a2,ar).
bond(m472,a1,a9,ar).
bond(m472,a1,a12,1).
bond(m472,a2,a3,1).
bond(m472,a2,a4,ar).
bond(m472,a4,a5,1).
bond(m472,a4,a6,ar).
bond(m472,a5,a13,1).
bond(m472,a6,a7,1).
bond(m472,a6,a8,ar).
bond(m472,a8,a9,ar).
bond(m472,a8,a14,1).
bond(m472,a9,a10,1).
bond(m472,a10,a11,3).
atm(m473,a1,o,o3,4.448,-1.033,2.270,-0.313).
atm(m473,a2,c,c2,3.850,-0.212,1.368,0.388).
atm(m473,a3,o,o2,4.659,0.384,0.677,-0.397).
atm(m473,a4,c,c3,2.320,-0.235,1.308,-0.016).
atm(m473,a5,c,c3,1.882,-1.695,1.528,-0.129).
atm(m473,a6,c,c3,1.847,0.194,-0.090,-0.093).
atm(m473,a7,c,c3,2.072,1.664,-0.411,-0.090).
atm(m473,a8,c,c3,2.323,2.526,0.813,-0.112).
atm(m473,a9,c,c3,1.466,2.151,2.033,0.027).
atm(m473,a10,c,c3,-0.015,2.429,1.721,-0.129).
atm(m473,a11,c,car,1.903,3.090,3.146,-0.070).
atm(m473,a12,c,car,1.476,4.424,3.121,-0.103).
atm(m473,a13,c,car,1.897,5.327,4.082,-0.107).
atm(m473,a14,c,car,2.762,4.922,5.101,-0.075).
atm(m473,a15,c,c3,3.202,5.894,6.162,-0.027).
atm(m473,a16,c,c3,2.126,5.996,7.235,-0.111).
atm(m473,a17,c,c3,3.496,7.263,5.568,-0.118).
atm(m473,a18,c,car,3.192,3.599,5.137,-0.098).
atm(m473,a19,c,car,2.768,2.689,4.167,-0.066).
atm(m473,a20,c,c3,3.231,1.276,4.223,-0.054).
atm(m473,a21,c,c3,2.106,0.358,3.793,-0.110).
atm(m473,a22,c,c3,1.599,0.637,2.380,-0.062).
atm(m473,a23,h,h,5.392,-0.928,2.195,0.227).
atm(m473,a24,h,h,2.059,-1.993,2.576,0.063).
atm(m473,a25,h,h,0.811,-1.832,1.323,0.049).
atm(m473,a26,h,h,2.431,-2.386,0.878,0.051).
atm(m473,a27,h,h,0.764,-0.037,-0.169,0.054).
atm(m473,a28,h,h,2.339,-0.439,-0.854,0.059).
atm(m473,a29,h,h,2.933,1.774,-1.100,0.064).
atm(m473,a30,h,h,1.196,2.045,-0.973,0.046).
atm(m473,a31,h,h,2.142,3.589,0.553,0.059).
atm(m473,a32,h,h,3.392,2.476,1.103,0.076).
atm(m473,a33,h,h,-0.370,1.831,0.871,0.047).
atm(m473,a34,h,h,-0.656,2.204,2.583,0.046).
atm(m473,a35,h,h,-0.173,3.490,1.466,0.050).
atm(m473,a36,h,h,0.790,4.749,2.323,0.113).
atm(m473,a37,h,h,1.574,6.379,4.054,0.113).
atm(m473,a38,h,h,4.138,5.507,6.636,0.064).
atm(m473,a39,h,h,1.185,6.386,6.824,0.043).
atm(m473,a40,h,h,1.911,5.016,7.678,0.042).
atm(m473,a41,h,h,2.436,6.668,8.046,0.039).
atm(m473,a42,h,h,4.373,7.234,4.909,0.044).
atm(m473,a43,h,h,2.644,7.620,4.965,0.045).
atm(m473,a44,h,h,3.690,8.006,6.351,0.042).
atm(m473,a45,h,h,3.869,3.264,5.933,0.108).
atm(m473,a46,h,h,3.573,1.008,5.242,0.058).
atm(m473,a47,h,h,4.118,1.163,3.567,0.064).
atm(m473,a48,h,h,1.263,0.468,4.504,0.057).
atm(m473,a49,h,h,2.416,-0.711,3.861,0.072).
atm(m473,a50,h,h,0.551,0.228,2.373,0.071).
bond(m473,a1,a2,1).
bond(m473,a1,a23,1).
bond(m473,a2,a3,2).
bond(m473,a2,a4,1).
bond(m473,a4,a5,1).
bond(m473,a4,a6,1).
bond(m473,a4,a22,1).
bond(m473,a5,a24,1).
bond(m473,a5,a25,1).
bond(m473,a5,a26,1).
bond(m473,a6,a7,1).
bond(m473,a6,a27,1).
bond(m473,a6,a28,1).
bond(m473,a7,a8,1).
bond(m473,a7,a29,1).
bond(m473,a7,a30,1).
bond(m473,a8,a9,1).
bond(m473,a8,a31,1).
bond(m473,a8,a32,1).
bond(m473,a9,a10,1).
bond(m473,a9,a11,1).
bond(m473,a9,a22,1).
bond(m473,a10,a33,1).
bond(m473,a10,a34,1).
bond(m473,a10,a35,1).
bond(m473,a11,a12,ar).
bond(m473,a11,a19,ar).
bond(m473,a12,a13,ar).
bond(m473,a12,a36,1).
bond(m473,a13,a14,ar).
bond(m473,a13,a37,1).
bond(m473,a14,a15,1).
bond(m473,a14,a18,ar).
bond(m473,a15,a16,1).
bond(m473,a15,a17,1).
bond(m473,a15,a38,1).
bond(m473,a16,a39,1).
bond(m473,a16,a40,1).
bond(m473,a16,a41,1).
bond(m473,a17,a42,1).
bond(m473,a17,a43,1).
bond(m473,a17,a44,1).
bond(m473,a18,a19,ar).
bond(m473,a18,a45,1).
bond(m473,a19,a20,1).
bond(m473,a20,a21,1).
bond(m473,a20,a46,1).
bond(m473,a20,a47,1).
bond(m473,a21,a22,1).
bond(m473,a21,a48,1).
bond(m473,a21,a49,1).
bond(m473,a22,a50,1).
atm(m474,a1,c,c2,6.306,0.000,0.000,-0.167).
atm(m474,a2,c,c2,4.978,-0.005,0.000,-0.142).
atm(m474,a3,c,c3,4.184,1.254,0.000,-0.009).
atm(m474,a4,c,car,2.694,1.104,-0.002,-0.159).
atm(m474,a5,c,car,2.070,-0.144,-0.001,-0.069).
atm(m474,a6,c,car,0.686,-0.261,-0.002,-0.138).
atm(m474,a7,c,car,-0.113,0.877,-0.005,-0.069).
atm(m474,a8,c,car,0.471,2.136,-0.006,-0.142).
atm(m474,a9,c,car,1.869,2.249,-0.004,0.097).
atm(m474,a10,o,o3,2.332,3.537,-0.006,-0.230).
atm(m474,a11,h,h,6.898,0.911,0.000,0.080).
atm(m474,a12,h,h,6.895,-0.912,0.000,0.083).
atm(m474,a13,h,h,4.420,-0.953,0.000,0.111).
atm(m474,a14,h,h,4.480,1.850,0.890,0.058).
atm(m474,a15,h,h,4.483,1.853,-0.887,0.058).
atm(m474,a16,h,h,2.687,-1.054,0.001,0.109).
atm(m474,a17,h,h,0.225,-1.254,-0.002,0.106).
atm(m474,a18,h,h,-1.203,0.783,-0.006,0.102).
atm(m474,a19,h,h,-0.153,3.037,-0.008,0.121).
atm(m474,a20,h,h,3.280,3.519,-0.006,0.198).
bond(m474,a1,a2,2).
bond(m474,a1,a11,1).
bond(m474,a1,a12,1).
bond(m474,a2,a3,1).
bond(m474,a2,a13,1).
bond(m474,a3,a4,1).
bond(m474,a3,a14,1).
bond(m474,a3,a15,1).
bond(m474,a4,a5,ar).
bond(m474,a4,a9,ar).
bond(m474,a5,a6,ar).
bond(m474,a5,a16,1).
bond(m474,a6,a7,ar).
bond(m474,a6,a17,1).
bond(m474,a7,a8,ar).
bond(m474,a7,a18,1).
bond(m474,a8,a9,ar).
bond(m474,a8,a19,1).
bond(m474,a9,a10,1).
bond(m474,a10,a20,1).
atm(m475,a1,c,car,2.424,0.697,0.000,-0.237).
atm(m475,a2,c,c2,1.174,-0.104,0.000,0.333).
atm(m475,a3,o,o2,0.053,0.345,0.000,-0.296).
atm(m475,a4,c,car,2.480,2.106,-0.001,0.177).
atm(m475,a5,o,o3,1.303,2.784,-0.001,-0.192).
atm(m475,a6,c,car,3.716,2.786,-0.001,-0.217).
atm(m475,a7,c,car,4.899,2.064,-0.001,-0.005).
atm(m475,a8,c,car,4.821,0.683,0.000,-0.177).
atm(m475,a9,br,br,6.414,-0.289,0.001,0.011).
atm(m475,a10,c,car,3.632,-0.012,0.000,-0.002).
atm(m475,a11,h,h,1.322,-1.199,0.000,0.043).
atm(m475,a12,h,h,1.494,3.715,-0.002,0.198).
atm(m475,a13,h,h,3.748,3.883,-0.002,0.119).
atm(m475,a14,h,h,5.876,2.560,-0.001,0.122).
atm(m475,a15,h,h,3.644,-1.110,0.001,0.123).
bond(m475,a1,a2,1).
bond(m475,a1,a4,ar).
bond(m475,a1,a10,ar).
bond(m475,a2,a3,2).
bond(m475,a2,a11,1).
bond(m475,a4,a5,1).
bond(m475,a4,a6,ar).
bond(m475,a5,a12,1).
bond(m475,a6,a7,ar).
bond(m475,a6,a13,1).
bond(m475,a7,a8,ar).
bond(m475,a7,a14,1).
bond(m475,a8,a9,1).
bond(m475,a8,a10,ar).
bond(m475,a10,a15,1).
atm(m476,a1,c,c2,2.804,2.426,0.000,-0.140).
atm(m476,a2,c,c2,2.158,1.259,0.000,-0.166).
atm(m476,a3,c,c3,2.841,-0.061,0.000,-0.037).
atm(m476,a4,cl,cl,4.610,0.085,-0.001,-0.056).
atm(m476,a5,c,c3,0.665,1.254,0.000,-0.030).
atm(m476,a6,cl,cl,-0.014,-0.390,0.000,-0.063).
atm(m476,a7,h,h,3.889,2.506,0.000,0.105).
atm(m476,a8,h,h,2.283,3.379,0.000,0.086).
atm(m476,a9,h,h,2.542,-0.644,0.891,0.079).
atm(m476,a10,h,h,2.542,-0.644,-0.892,0.079).
atm(m476,a11,h,h,0.275,1.780,0.891,0.071).
atm(m476,a12,h,h,0.276,1.780,-0.892,0.071).
bond(m476,a1,a2,2).
bond(m476,a1,a7,1).
bond(m476,a1,a8,1).
bond(m476,a2,a3,1).
bond(m476,a2,a5,1).
bond(m476,a3,a4,1).
bond(m476,a3,a9,1).
bond(m476,a3,a10,1).
bond(m476,a5,a6,1).
bond(m476,a5,a11,1).
bond(m476,a5,a12,1).
atm(m477,a1,c,car,3.500,1.211,0.000,-0.030).
atm(m477,a2,c,car,2.109,1.215,-0.003,-0.223).
atm(m477,a3,cl,cl,1.277,-0.253,0.011,0.093).
atm(m477,a4,c,car,1.401,2.428,-0.017,0.129).
atm(m477,a5,o,o3,0.044,2.512,-0.020,-0.203).
atm(m477,a6,c,car,2.107,3.645,-0.028,-0.176).
atm(m477,a7,cl,cl,1.283,5.109,-0.045,0.121).
atm(m477,a8,c,car,3.497,3.642,-0.025,-0.039).
atm(m477,a9,c,car,4.188,2.426,-0.011,0.011).
atm(m477,a10,c,c1,5.612,2.427,-0.009,-0.098).
atm(m477,a11,n,n1,6.772,2.428,-0.007,-0.053).
atm(m477,a12,h,h,4.041,0.257,0.011,0.129).
atm(m477,a13,h,h,-0.311,1.629,-0.011,0.210).
atm(m477,a14,h,h,4.041,4.595,-0.034,0.129).
bond(m477,a1,a2,ar).
bond(m477,a1,a9,ar).
bond(m477,a1,a12,1).
bond(m477,a2,a3,1).
bond(m477,a2,a4,ar).
bond(m477,a4,a5,1).
bond(m477,a4,a6,ar).
bond(m477,a5,a13,1).
bond(m477,a6,a7,1).
bond(m477,a6,a8,ar).
bond(m477,a8,a9,ar).
bond(m477,a8,a14,1).
bond(m477,a9,a10,1).
bond(m477,a10,a11,3).
atm(m478,a1,c,c3,15.385,4.846,0.000,-0.109).
atm(m478,a2,c,c3,14.651,3.530,-0.118,-0.094).
atm(m478,a3,c,c3,13.144,3.734,-0.097,-0.119).
atm(m478,a4,c,c3,12.430,2.390,-0.216,0.075).
atm(m478,a5,o,o3,11.030,2.679,-0.191,-0.264).
atm(m478,a6,c,c2,10.155,1.638,-0.289,0.422).
atm(m478,a7,o,o2,10.578,0.501,-0.375,-0.375).
atm(m478,a8,c,car,8.728,2.063,-0.263,-0.097).
atm(m478,a9,c,car,7.808,1.295,0.454,-0.063).
atm(m478,a10,c,car,6.469,1.665,0.484,-0.063).
atm(m478,a11,c,car,6.045,2.800,-0.209,-0.097).
atm(m478,a12,c,c2,4.611,3.206,-0.208,0.419).
atm(m478,a13,o,o2,3.969,3.611,-1.156,-0.371).
atm(m478,a14,o,o3,4.027,3.107,1.024,-0.263).
atm(m478,a15,c,c3,2.653,3.434,1.182,0.076).
atm(m478,a16,c,c3,1.734,2.279,0.793,-0.140).
atm(m478,a17,c,c3,0.297,2.598,1.172,-0.091).
atm(m478,a18,c,c3,-0.636,1.470,0.792,-0.110).
atm(m478,a19,c,car,6.962,3.561,-0.935,-0.064).
atm(m478,a20,c,car,8.303,3.195,-0.960,-0.062).
atm(m478,a21,h,h,16.473,4.698,-0.016,0.040).
atm(m478,a22,h,h,15.135,5.526,-0.826,0.039).
atm(m478,a23,h,h,15.139,5.366,0.936,0.039).
atm(m478,a24,h,h,14.949,3.013,-1.052,0.050).
atm(m478,a25,h,h,14.952,2.853,0.706,0.051).
atm(m478,a26,h,h,12.844,4.253,0.835,0.062).
atm(m478,a27,h,h,12.841,4.409,-0.923,0.061).
atm(m478,a28,h,h,12.691,1.872,-1.158,0.050).
atm(m478,a29,h,h,12.689,1.717,0.624,0.050).
atm(m478,a30,h,h,8.142,0.397,0.988,0.123).
atm(m478,a31,h,h,5.750,1.063,1.052,0.120).
atm(m478,a32,h,h,2.617,3.639,2.268,0.056).
atm(m478,a33,h,h,2.387,4.364,0.645,0.059).
atm(m478,a34,h,h,1.804,2.082,-0.296,0.070).
atm(m478,a35,h,h,2.058,1.342,1.288,0.060).
atm(m478,a36,h,h,0.228,2.796,2.260,0.047).
atm(m478,a37,h,h,-0.024,3.536,0.677,0.051).
atm(m478,a38,h,h,-0.365,0.533,1.296,0.038).
atm(m478,a39,h,h,-1.673,1.702,1.066,0.039).
atm(m478,a40,h,h,-0.617,1.275,-0.289,0.041).
atm(m478,a41,h,h,6.624,4.444,-1.491,0.122).
atm(m478,a42,h,h,9.022,3.799,-1.527,0.120).
bond(m478,a1,a2,1).
bond(m478,a1,a21,1).
bond(m478,a1,a22,1).
bond(m478,a1,a23,1).
bond(m478,a2,a3,1).
bond(m478,a2,a24,1).
bond(m478,a2,a25,1).
bond(m478,a3,a4,1).
bond(m478,a3,a26,1).
bond(m478,a3,a27,1).
bond(m478,a4,a5,1).
bond(m478,a4,a28,1).
bond(m478,a4,a29,1).
bond(m478,a5,a6,1).
bond(m478,a6,a7,2).
bond(m478,a6,a8,1).
bond(m478,a8,a9,ar).
bond(m478,a8,a20,ar).
bond(m478,a9,a10,ar).
bond(m478,a9,a30,1).
bond(m478,a10,a11,ar).
bond(m478,a10,a31,1).
bond(m478,a11,a12,1).
bond(m478,a11,a19,ar).
bond(m478,a12,a13,2).
bond(m478,a12,a14,1).
bond(m478,a14,a15,1).
bond(m478,a15,a16,1).
bond(m478,a15,a32,1).
bond(m478,a15,a33,1).
bond(m478,a16,a17,1).
bond(m478,a16,a34,1).
bond(m478,a16,a35,1).
bond(m478,a17,a18,1).
bond(m478,a17,a36,1).
bond(m478,a17,a37,1).
bond(m478,a18,a38,1).
bond(m478,a18,a39,1).
bond(m478,a18,a40,1).
bond(m478,a19,a20,ar).
bond(m478,a19,a41,1).
bond(m478,a20,a42,1).
atm(m479,a1,c,car,7.279,2.805,0.000,-0.082).
atm(m479,a2,c,car,8.472,2.103,-0.109,-0.174).
atm(m479,a3,c,car,8.442,0.720,-0.326,0.079).
atm(m479,a4,o,o3,9.575,-0.042,-0.438,-0.226).
atm(m479,a5,c,car,7.226,0.031,-0.440,-0.119).
atm(m479,a6,c,car,6.035,0.735,-0.339,-0.108).
atm(m479,a7,c,car,6.066,2.117,-0.117,0.024).
atm(m479,a8,o,o3,4.924,2.911,-0.110,-0.129).
atm(m479,a9,c,car,3.825,2.399,0.570,0.024).
atm(m479,a10,c,car,3.919,1.789,1.824,-0.103).
atm(m479,a11,c,car,2.760,1.405,2.486,-0.172).
atm(m479,a12,c,car,1.515,1.642,1.888,0.080).
atm(m479,a13,o,o3,0.328,1.293,2.475,-0.226).
atm(m479,a14,c,car,1.421,2.258,0.632,-0.122).
atm(m479,a15,c,car,2.580,2.634,-0.031,-0.085).
atm(m479,a16,h,h,7.290,3.888,0.166,0.119).
atm(m479,a17,h,h,9.425,2.638,-0.024,0.111).
atm(m479,a18,h,h,10.323,0.536,-0.354,0.197).
atm(m479,a19,h,h,7.216,-1.051,-0.612,0.123).
atm(m479,a20,h,h,5.076,0.212,-0.428,0.120).
atm(m479,a21,h,h,4.899,1.610,2.280,0.119).
atm(m479,a22,h,h,2.830,0.924,3.468,0.111).
atm(m479,a23,h,h,0.524,0.903,3.318,0.196).
atm(m479,a24,h,h,0.440,2.440,0.177,0.123).
atm(m479,a25,h,h,2.521,3.120,-1.012,0.120).
bond(m479,a1,a2,ar).
bond(m479,a1,a7,ar).
bond(m479,a1,a16,1).
bond(m479,a2,a3,ar).
bond(m479,a2,a17,1).
bond(m479,a3,a4,1).
bond(m479,a3,a5,ar).
bond(m479,a4,a18,1).
bond(m479,a5,a6,ar).
bond(m479,a5,a19,1).
bond(m479,a6,a7,ar).
bond(m479,a6,a20,1).
bond(m479,a7,a8,1).
bond(m479,a8,a9,1).
bond(m479,a9,a10,ar).
bond(m479,a9,a15,ar).
bond(m479,a10,a11,ar).
bond(m479,a10,a21,1).
bond(m479,a11,a12,ar).
bond(m479,a11,a22,1).
bond(m479,a12,a13,1).
bond(m479,a12,a14,ar).
bond(m479,a13,a23,1).
bond(m479,a14,a15,ar).
bond(m479,a14,a24,1).
bond(m479,a15,a25,1).
atm(m47,a1,o,o3,2.431,0.000,0.000,-0.222).
atm(m47,a2,c,car,2.482,1.243,0.559,0.122).
atm(m47,a3,c,car,1.236,1.879,0.706,-0.168).
atm(m47,a4,cl,cl,-0.175,1.128,0.182,0.107).
atm(m47,a5,c,car,1.156,3.137,1.289,-0.060).
atm(m47,a6,c,car,2.320,3.753,1.737,-0.168).
atm(m47,a7,cl,cl,2.229,5.269,2.460,0.095).
atm(m47,a8,c,car,3.560,3.126,1.599,-0.091).
atm(m47,a9,cl,cl,4.909,3.911,2.214,0.111).
atm(m47,a10,c,car,3.669,1.870,0.991,-0.149).
atm(m47,a11,c,c3,5.002,1.195,0.870,0.009).
atm(m47,a12,c,car,5.940,1.861,-0.091,-0.100).
atm(m47,a13,c,car,5.683,1.850,-1.465,-0.099).
atm(m47,a14,cl,cl,4.333,1.065,-2.088,0.107).
atm(m47,a15,c,car,6.548,2.470,-2.373,-0.168).
atm(m47,a16,cl,cl,6.190,2.447,-4.015,0.106).
atm(m47,a17,c,car,7.704,3.101,-1.930,-0.046).
atm(m47,a18,c,car,7.998,3.094,-0.573,-0.218).
atm(m47,a19,cl,cl,9.416,3.843,-0.041,0.088).
atm(m47,a20,c,car,7.133,2.476,0.348,0.131).
atm(m47,a21,o,o3,7.410,2.428,1.682,-0.217).
atm(m47,a22,h,h,3.327,-0.291,-0.152,0.210).
atm(m47,a23,h,h,0.186,3.636,1.400,0.130).
atm(m47,a24,h,h,5.444,1.137,1.886,0.093).
atm(m47,a25,h,h,4.881,0.137,0.542,0.057).
atm(m47,a26,h,h,8.378,3.591,-2.642,0.132).
atm(m47,a27,h,h,8.227,2.888,1.838,0.209).
bond(m47,a1,a2,1).
bond(m47,a1,a22,1).
bond(m47,a2,a3,ar).
bond(m47,a2,a10,ar).
bond(m47,a3,a4,1).
bond(m47,a3,a5,ar).
bond(m47,a5,a6,ar).
bond(m47,a5,a23,1).
bond(m47,a6,a7,1).
bond(m47,a6,a8,ar).
bond(m47,a8,a9,1).
bond(m47,a8,a10,ar).
bond(m47,a10,a11,1).
bond(m47,a11,a12,1).
bond(m47,a11,a24,1).
bond(m47,a11,a25,1).
bond(m47,a12,a13,ar).
bond(m47,a12,a20,ar).
bond(m47,a13,a14,1).
bond(m47,a13,a15,ar).
bond(m47,a15,a16,1).
bond(m47,a15,a17,ar).
bond(m47,a17,a18,ar).
bond(m47,a17,a26,1).
bond(m47,a18,a19,1).
bond(m47,a18,a20,ar).
bond(m47,a20,a21,1).
bond(m47,a21,a27,1).
atm(m480,a1,c,car,2.797,3.635,0.000,-0.093).
atm(m480,a2,cl,cl,1.961,5.102,-0.011,0.072).
atm(m480,a3,c,car,4.189,3.664,0.003,-0.111).
atm(m480,a4,c,car,4.902,2.469,0.015,-0.059).
atm(m480,a5,c,car,4.228,1.255,0.024,-0.113).
atm(m480,a6,c,car,2.832,1.232,0.016,-0.079).
atm(m480,a7,cl,cl,2.051,-0.255,0.027,0.112).
atm(m480,a8,c,car,2.102,2.423,0.004,-0.126).
atm(m480,a9,c,c2,0.609,2.393,-0.033,0.267).
atm(m480,a10,o,o2,-0.045,1.910,-0.945,-0.343).
atm(m480,a11,n,nam,-0.072,2.877,1.113,0.002).
atm(m480,a12,h,h,4.713,4.626,-0.006,0.123).
atm(m480,a13,h,h,5.997,2.487,0.017,0.110).
atm(m480,a14,h,h,4.783,0.310,0.034,0.122).
atm(m480,a15,h,h,0.405,3.612,1.585,0.052).
atm(m480,a16,h,h,-1.043,3.057,0.987,0.062).
bond(m480,a1,a2,1).
bond(m480,a1,a3,ar).
bond(m480,a1,a8,ar).
bond(m480,a3,a4,ar).
bond(m480,a3,a12,1).
bond(m480,a4,a5,ar).
bond(m480,a4,a13,1).
bond(m480,a5,a6,ar).
bond(m480,a5,a14,1).
bond(m480,a6,a7,1).
bond(m480,a6,a8,ar).
bond(m480,a8,a9,1).
bond(m480,a9,a10,2).
bond(m480,a9,a11,1).
bond(m480,a11,a15,1).
bond(m480,a11,a16,1).
atm(m481,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m481,a2,c,c3,1.191,0.872,-0.331,-0.098).
atm(m481,a3,c,c3,2.382,0.547,0.557,-0.103).
atm(m481,a4,c,c3,3.577,1.424,0.223,-0.102).
atm(m481,a5,c,c3,4.767,1.098,1.112,-0.102).
atm(m481,a6,c,c3,5.963,1.975,0.778,-0.102).
atm(m481,a7,c,c3,7.152,1.650,1.666,-0.102).
atm(m481,a8,c,c3,8.348,2.527,1.332,-0.101).
atm(m481,a9,c,c3,9.538,2.200,2.221,-0.104).
atm(m481,a10,c,c3,10.729,3.086,1.878,-0.103).
atm(m481,a11,n,n3,11.909,2.723,2.694,-0.036).
atm(m481,a12,h,h,0.228,-1.066,-0.136,0.038).
atm(m481,a13,h,h,-0.323,0.133,1.041,0.038).
atm(m481,a14,h,h,-0.858,0.237,-0.642,0.037).
atm(m481,a15,h,h,1.469,0.744,-1.396,0.048).
atm(m481,a16,h,h,0.919,1.940,-0.221,0.048).
atm(m481,a17,h,h,2.104,0.675,1.623,0.051).
atm(m481,a18,h,h,2.653,-0.522,0.448,0.051).
atm(m481,a19,h,h,3.855,1.296,-0.843,0.051).
atm(m481,a20,h,h,3.305,2.493,0.332,0.050).
atm(m481,a21,h,h,4.490,1.226,2.178,0.051).
atm(m481,a22,h,h,5.040,0.029,1.003,0.051).
atm(m481,a23,h,h,6.240,1.847,-0.288,0.051).
atm(m481,a24,h,h,5.690,3.045,0.887,0.050).
atm(m481,a25,h,h,6.875,1.778,2.732,0.051).
atm(m481,a26,h,h,7.425,0.580,1.557,0.053).
atm(m481,a27,h,h,8.625,2.398,0.266,0.052).
atm(m481,a28,h,h,8.075,3.596,1.440,0.049).
atm(m481,a29,h,h,9.255,2.326,3.287,0.049).
atm(m481,a30,h,h,9.808,1.130,2.111,0.064).
atm(m481,a31,h,h,11.013,2.951,0.815,0.055).
atm(m481,a32,h,h,10.444,4.156,1.985,0.026).
atm(m481,a33,h,h,12.658,3.349,2.487,0.024).
atm(m481,a34,h,h,11.684,2.795,3.665,0.022).
bond(m481,a1,a2,1).
bond(m481,a1,a12,1).
bond(m481,a1,a13,1).
bond(m481,a1,a14,1).
bond(m481,a2,a3,1).
bond(m481,a2,a15,1).
bond(m481,a2,a16,1).
bond(m481,a3,a4,1).
bond(m481,a3,a17,1).
bond(m481,a3,a18,1).
bond(m481,a4,a5,1).
bond(m481,a4,a19,1).
bond(m481,a4,a20,1).
bond(m481,a5,a6,1).
bond(m481,a5,a21,1).
bond(m481,a5,a22,1).
bond(m481,a6,a7,1).
bond(m481,a6,a23,1).
bond(m481,a6,a24,1).
bond(m481,a7,a8,1).
bond(m481,a7,a25,1).
bond(m481,a7,a26,1).
bond(m481,a8,a9,1).
bond(m481,a8,a27,1).
bond(m481,a8,a28,1).
bond(m481,a9,a10,1).
bond(m481,a9,a29,1).
bond(m481,a9,a30,1).
bond(m481,a10,a11,1).
bond(m481,a10,a31,1).
bond(m481,a10,a32,1).
bond(m481,a11,a33,1).
bond(m481,a11,a34,1).
atm(m482,a1,c,c3,9.705,0.699,0.000,-0.091).
atm(m482,a2,n,nam,8.450,-0.063,0.123,-0.002).
atm(m482,a3,c,c2,7.234,0.675,0.176,0.349).
atm(m482,a4,o,o2,7.106,1.838,0.524,-0.396).
atm(m482,a5,o,o3,6.202,-0.162,-0.159,-0.203).
atm(m482,a6,c,car,4.876,0.234,-0.012,0.088).
atm(m482,a7,c,car,3.955,-0.765,-0.345,-0.136).
atm(m482,a8,c,car,2.589,-0.499,-0.249,-0.059).
atm(m482,a9,c,c3,1.627,-1.576,-0.608,-0.090).
atm(m482,a10,c,car,2.161,0.770,0.183,-0.098).
atm(m482,a11,n,npl3,0.756,1.169,0.325,-0.015).
atm(m482,a12,c,c3,0.036,1.207,-0.968,-0.100).
atm(m482,a13,c,c3,0.048,0.412,1.382,-0.100).
atm(m482,a14,c,car,3.099,1.754,0.512,-0.042).
atm(m482,a15,c,car,4.459,1.494,0.417,-0.175).
atm(m482,a16,h,h,10.543,0.014,0.182,0.050).
atm(m482,a17,h,h,9.840,1.159,-0.990,0.035).
atm(m482,a18,h,h,9.739,1.495,0.756,0.071).
atm(m482,a19,h,h,8.425,-0.863,-0.474,0.078).
atm(m482,a20,h,h,4.299,-1.752,-0.679,0.121).
atm(m482,a21,h,h,2.128,-2.500,-0.923,0.050).
atm(m482,a22,h,h,0.976,-1.819,0.250,0.057).
atm(m482,a23,h,h,0.968,-1.250,-1.432,0.057).
atm(m482,a24,h,h,-0.022,0.223,-1.469,0.031).
atm(m482,a25,h,h,-0.984,1.576,-0.804,0.048).
atm(m482,a26,h,h,0.554,1.903,-1.640,0.051).
atm(m482,a27,h,h,0.573,0.559,2.333,0.052).
atm(m482,a28,h,h,-0.972,0.802,1.484,0.048).
atm(m482,a29,h,h,-0.008,-0.674,1.183,0.031).
atm(m482,a30,h,h,2.765,2.743,0.850,0.118).
atm(m482,a31,h,h,5.231,2.248,0.670,0.171).
bond(m482,a1,a2,1).
bond(m482,a1,a16,1).
bond(m482,a1,a17,1).
bond(m482,a1,a18,1).
bond(m482,a2,a3,1).
bond(m482,a2,a19,1).
bond(m482,a3,a4,2).
bond(m482,a3,a5,1).
bond(m482,a5,a6,1).
bond(m482,a6,a7,ar).
bond(m482,a6,a15,ar).
bond(m482,a7,a8,ar).
bond(m482,a7,a20,1).
bond(m482,a8,a9,1).
bond(m482,a8,a10,ar).
bond(m482,a9,a21,1).
bond(m482,a9,a22,1).
bond(m482,a9,a23,1).
bond(m482,a10,a11,1).
bond(m482,a10,a14,ar).
bond(m482,a11,a12,1).
bond(m482,a11,a13,1).
bond(m482,a12,a24,1).
bond(m482,a12,a25,1).
bond(m482,a12,a26,1).
bond(m482,a13,a27,1).
bond(m482,a13,a28,1).
bond(m482,a13,a29,1).
bond(m482,a14,a15,ar).
bond(m482,a14,a30,1).
bond(m482,a15,a31,1).
atm(m483,a1,n,nar,2.464,2.656,0.000,-0.026).
atm(m483,a2,c,car,3.249,1.565,0.000,-0.320).
atm(m483,a3,br,br,5.090,1.564,0.003,0.140).
atm(m483,a4,n,npl3,2.463,0.419,-0.003,0.380).
atm(m483,a5,c,car,1.131,0.840,-0.005,-0.353).
atm(m483,a6,br,br,-0.275,-0.337,-0.009,0.137).
atm(m483,a7,c,car,1.154,2.216,-0.003,-0.156).
atm(m483,a8,br,br,-0.264,3.389,-0.004,0.111).
atm(m483,a9,h,h,2.775,-0.516,-0.004,0.087).
bond(m483,a1,a2,ar).
bond(m483,a1,a7,ar).
bond(m483,a2,a3,1).
bond(m483,a2,a4,ar).
bond(m483,a4,a5,ar).
bond(m483,a4,a9,1).
bond(m483,a5,a6,1).
bond(m483,a5,a7,ar).
bond(m483,a7,a8,1).
atm(m484,a1,c,c3,6.993,5.590,0.000,-0.128).
atm(m484,a2,c,c3,5.987,4.515,-0.374,0.109).
atm(m484,a3,o,o3,5.716,4.589,-1.751,-0.580).
atm(m484,a4,p,p3,5.477,3.162,-2.652,1.790).
atm(m484,a5,s,s2,6.579,1.615,-2.305,-0.668).
atm(m484,a6,o,o3,3.835,2.833,-2.191,-0.539).
atm(m484,a7,c,car,2.703,3.504,-2.502,0.228).
atm(m484,a8,c,car,2.434,4.788,-1.993,-0.213).
atm(m484,a9,c,car,1.210,5.385,-2.249,0.026).
atm(m484,a10,c,car,0.242,4.721,-3.014,-0.455).
atm(m484,a11,c,car,0.510,3.438,-3.513,0.024).
atm(m484,a12,c,car,1.730,2.831,-3.264,-0.180).
atm(m484,a13,n,n4,-1.070,5.374,-3.292,1.315).
atm(m484,a14,o,oco2,-1.280,6.498,-2.877,-0.607).
atm(m484,a15,o,oco2,-1.913,4.778,-3.934,-0.604).
atm(m484,a16,c,car,5.397,3.845,-4.299,-0.520).
atm(m484,a17,c,car,4.810,5.075,-4.585,-0.013).
atm(m484,a18,c,car,4.797,5.562,-5.889,-0.123).
atm(m484,a19,c,car,5.370,4.819,-6.915,-0.045).
atm(m484,a20,c,car,5.957,3.588,-6.636,-0.116).
atm(m484,a21,c,car,5.971,3.106,-5.332,-0.033).
atm(m484,a22,h,h,7.962,5.441,-0.495,0.049).
atm(m484,a23,h,h,6.641,6.595,-0.270,0.048).
atm(m484,a24,h,h,7.169,5.580,1.083,0.048).
atm(m484,a25,h,h,6.363,3.504,-0.111,0.045).
atm(m484,a26,h,h,5.024,4.673,0.149,0.033).
atm(m484,a27,h,h,3.180,5.316,-1.384,0.134).
atm(m484,a28,h,h,1.009,6.386,-1.842,0.130).
atm(m484,a29,h,h,-0.244,2.901,-4.105,0.131).
atm(m484,a30,h,h,1.927,1.822,-3.646,0.130).
atm(m484,a31,h,h,4.350,5.665,-3.780,0.116).
atm(m484,a32,h,h,4.335,6.532,-6.104,0.114).
atm(m484,a33,h,h,5.360,5.201,-7.942,0.108).
atm(m484,a34,h,h,6.410,2.999,-7.441,0.115).
atm(m484,a35,h,h,6.445,2.137,-5.105,0.132).
bond(m484,a1,a2,1).
bond(m484,a1,a22,1).
bond(m484,a1,a23,1).
bond(m484,a1,a24,1).
bond(m484,a2,a3,1).
bond(m484,a2,a25,1).
bond(m484,a2,a26,1).
bond(m484,a3,a4,1).
bond(m484,a4,a5,2).
bond(m484,a4,a6,1).
bond(m484,a4,a16,1).
bond(m484,a6,a7,1).
bond(m484,a7,a8,ar).
bond(m484,a7,a12,ar).
bond(m484,a8,a9,ar).
bond(m484,a8,a27,1).
bond(m484,a9,a10,ar).
bond(m484,a9,a28,1).
bond(m484,a10,a11,ar).
bond(m484,a10,a13,1).
bond(m484,a11,a12,ar).
bond(m484,a11,a29,1).
bond(m484,a12,a30,1).
bond(m484,a13,a14,2).
bond(m484,a13,a15,1).
bond(m484,a16,a17,ar).
bond(m484,a16,a21,ar).
bond(m484,a17,a18,ar).
bond(m484,a17,a31,1).
bond(m484,a18,a19,ar).
bond(m484,a18,a32,1).
bond(m484,a19,a20,ar).
bond(m484,a19,a33,1).
bond(m484,a20,a21,ar).
bond(m484,a20,a34,1).
bond(m484,a21,a35,1).
atm(m485,a1,o,o3,3.639,2.101,0.000,-0.301).
atm(m485,a2,c,c3,3.595,0.694,0.019,0.078).
atm(m485,a3,c,c3,4.312,0.093,-1.190,-0.153).
atm(m485,a4,c,c3,4.178,0.097,1.316,0.012).
atm(m485,a5,c,c1,3.380,0.412,2.471,-0.186).
atm(m485,a6,c,c1,2.723,0.669,3.430,-0.176).
atm(m485,a7,h,h,4.550,2.359,0.075,0.182).
atm(m485,a8,h,h,2.499,0.505,-0.041,0.078).
atm(m485,a9,h,h,3.948,0.531,-2.129,0.055).
atm(m485,a10,h,h,5.397,0.261,-1.148,0.040).
atm(m485,a11,h,h,4.147,-0.990,-1.246,0.049).
atm(m485,a12,h,h,4.239,-1.006,1.222,0.066).
atm(m485,a13,h,h,5.215,0.454,1.485,0.060).
atm(m485,a14,h,h,2.133,0.900,4.286,0.196).
bond(m485,a1,a2,1).
bond(m485,a1,a7,1).
bond(m485,a2,a3,1).
bond(m485,a2,a4,1).
bond(m485,a2,a8,1).
bond(m485,a3,a9,1).
bond(m485,a3,a10,1).
bond(m485,a3,a11,1).
bond(m485,a4,a5,1).
bond(m485,a4,a12,1).
bond(m485,a4,a13,1).
bond(m485,a5,a6,3).
bond(m485,a6,a14,1).
atm(m486,a1,o,o3,4.852,2.800,0.000,-0.212).
atm(m486,a2,c,car,3.641,2.152,0.000,0.012).
atm(m486,a3,c,car,3.489,0.748,0.001,0.025).
atm(m486,a4,o,o3,4.532,-0.145,0.001,-0.211).
atm(m486,a5,c,car,2.210,0.184,0.001,-0.106).
atm(m486,a6,c,car,1.104,1.027,0.000,-0.126).
atm(m486,a7,cl,cl,-0.443,0.354,0.000,0.068).
atm(m486,a8,c,car,1.245,2.413,0.000,-0.105).
atm(m486,a9,c,car,2.512,2.980,0.000,-0.090).
atm(m486,a10,h,h,5.539,2.142,0.000,0.184).
atm(m486,a11,h,h,5.344,0.350,0.001,0.184).
atm(m486,a12,h,h,2.079,-0.905,0.001,0.134).
atm(m486,a13,h,h,0.354,3.052,-0.001,0.120).
atm(m486,a14,h,h,2.631,4.070,-0.001,0.123).
bond(m486,a1,a2,1).
bond(m486,a1,a10,1).
bond(m486,a2,a3,ar).
bond(m486,a2,a9,ar).
bond(m486,a3,a4,1).
bond(m486,a3,a5,ar).
bond(m486,a4,a11,1).
bond(m486,a5,a6,ar).
bond(m486,a5,a12,1).
bond(m486,a6,a7,1).
bond(m486,a6,a8,ar).
bond(m486,a8,a9,ar).
bond(m486,a8,a13,1).
bond(m486,a9,a14,1).
atm(m487,a1,c,car,3.496,1.207,0.000,0.241).
atm(m487,a2,o,o3,4.175,0.038,0.005,-0.255).
atm(m487,a3,c,car,2.097,1.094,0.072,-0.279).
atm(m487,a4,c,car,1.332,2.259,0.114,0.179).
atm(m487,a5,o,o3,-0.028,2.249,0.185,-0.220).
atm(m487,a6,c,car,1.938,3.531,0.099,-0.204).
atm(m487,a7,c,car,3.312,3.622,0.007,0.009).
atm(m487,a8,c,car,4.118,2.478,-0.076,-0.305).
atm(m487,a9,c,c2,5.589,2.521,-0.179,0.439).
atm(m487,a10,o,o2,6.318,1.576,0.105,-0.390).
atm(m487,a11,o,o3,6.394,3.536,-0.593,-0.221).
atm(m487,a12,c,c3,5.873,4.658,-1.260,0.048).
atm(m487,a13,h,h,5.120,0.227,0.062,0.256).
atm(m487,a14,h,h,1.633,0.100,0.105,0.137).
atm(m487,a15,h,h,-0.320,1.346,0.199,0.205).
atm(m487,a16,h,h,1.322,4.435,0.161,0.130).
atm(m487,a17,h,h,3.780,4.618,0.008,0.111).
atm(m487,a18,h,h,6.774,5.192,-1.571,0.057).
atm(m487,a19,h,h,5.276,4.378,-2.135,0.033).
atm(m487,a20,h,h,5.272,5.289,-0.590,0.030).
bond(m487,a1,a2,1).
bond(m487,a1,a3,ar).
bond(m487,a1,a8,ar).
bond(m487,a2,a13,1).
bond(m487,a3,a4,ar).
bond(m487,a3,a14,1).
bond(m487,a4,a5,1).
bond(m487,a4,a6,ar).
bond(m487,a5,a15,1).
bond(m487,a6,a7,ar).
bond(m487,a6,a16,1).
bond(m487,a7,a8,ar).
bond(m487,a7,a17,1).
bond(m487,a8,a9,1).
bond(m487,a9,a10,2).
bond(m487,a9,a11,1).
bond(m487,a11,a12,1).
bond(m487,a12,a18,1).
bond(m487,a12,a19,1).
bond(m487,a12,a20,1).
atm(m488,a1,c,c2,0.000,0.691,0.000,0.020).
atm(m488,a2,c,c2,1.218,0.000,0.000,-0.218).
atm(m488,a3,c,c2,2.417,0.691,0.000,0.391).
atm(m488,a4,o,o2,2.417,2.090,0.000,-0.459).
atm(m488,a5,o,o3,3.635,0.000,0.000,-0.226).
atm(m488,a6,c,c3,4.853,0.691,0.000,0.084).
atm(m488,a7,c,c3,6.052,0.000,0.000,-0.119).
atm(m488,a8,c,c3,7.270,0.691,0.000,-0.087).
atm(m488,a9,c,c3,8.488,0.000,0.000,-0.097).
atm(m488,a10,c,c3,9.688,0.691,0.000,-0.097).
atm(m488,a11,c,c3,10.905,0.000,0.000,-0.097).
atm(m488,a12,c,c3,12.123,0.691,0.000,-0.097).
atm(m488,a13,c,c3,13.323,0.000,0.000,-0.097).
atm(m488,a14,c,c3,14.540,0.691,0.000,-0.098).
atm(m488,a15,c,c3,15.758,0.000,0.000,-0.102).
atm(m488,a16,c,c3,16.958,0.691,0.000,-0.106).
atm(m488,a17,c,c3,18.176,0.000,0.000,-0.104).
atm(m488,a18,h,h,-0.008,1.781,0.000,0.111).
atm(m488,a19,h,h,-0.940,0.139,0.000,0.077).
atm(m488,a20,h,h,1.221,-1.090,0.000,0.120).
atm(m488,a21,h,h,4.855,1.320,-0.890,0.043).
atm(m488,a22,h,h,4.855,1.320,0.890,0.043).
atm(m488,a23,h,h,6.050,-0.629,0.890,0.056).
atm(m488,a24,h,h,6.050,-0.629,-0.890,0.056).
atm(m488,a25,h,h,7.270,1.320,-0.890,0.051).
atm(m488,a26,h,h,7.270,1.320,0.890,0.051).
atm(m488,a27,h,h,8.490,-0.629,0.890,0.049).
atm(m488,a28,h,h,8.490,-0.629,-0.890,0.049).
atm(m488,a29,h,h,9.686,1.320,-0.890,0.050).
atm(m488,a30,h,h,9.686,1.320,0.890,0.050).
atm(m488,a31,h,h,10.905,-0.629,0.890,0.048).
atm(m488,a32,h,h,10.905,-0.629,-0.890,0.048).
atm(m488,a33,h,h,12.125,1.320,-0.890,0.049).
atm(m488,a34,h,h,12.125,1.320,0.890,0.049).
atm(m488,a35,h,h,13.321,-0.629,0.890,0.049).
atm(m488,a36,h,h,13.321,-0.629,-0.890,0.049).
atm(m488,a37,h,h,14.540,1.320,-0.890,0.048).
atm(m488,a38,h,h,14.540,1.320,0.890,0.048).
atm(m488,a39,h,h,15.760,-0.629,0.890,0.049).
atm(m488,a40,h,h,15.760,-0.629,-0.890,0.049).
atm(m488,a41,h,h,16.956,1.320,-0.890,0.047).
atm(m488,a42,h,h,16.956,1.320,0.890,0.047).
atm(m488,a43,h,h,18.999,0.715,0.000,0.045).
atm(m488,a44,h,h,18.238,-0.626,0.890,0.039).
atm(m488,a45,h,h,18.238,-0.626,-0.890,0.039).
bond(m488,a1,a2,2).
bond(m488,a1,a18,1).
bond(m488,a1,a19,1).
bond(m488,a2,a3,1).
bond(m488,a2,a20,1).
bond(m488,a3,a4,2).
bond(m488,a3,a5,1).
bond(m488,a5,a6,1).
bond(m488,a6,a7,1).
bond(m488,a6,a21,1).
bond(m488,a6,a22,1).
bond(m488,a7,a8,1).
bond(m488,a7,a23,1).
bond(m488,a7,a24,1).
bond(m488,a8,a9,1).
bond(m488,a8,a25,1).
bond(m488,a8,a26,1).
bond(m488,a9,a10,1).
bond(m488,a9,a27,1).
bond(m488,a9,a28,1).
bond(m488,a10,a11,1).
bond(m488,a10,a29,1).
bond(m488,a10,a30,1).
bond(m488,a11,a12,1).
bond(m488,a11,a31,1).
bond(m488,a11,a32,1).
bond(m488,a12,a13,1).
bond(m488,a12,a33,1).
bond(m488,a12,a34,1).
bond(m488,a13,a14,1).
bond(m488,a13,a35,1).
bond(m488,a13,a36,1).
bond(m488,a14,a15,1).
bond(m488,a14,a37,1).
bond(m488,a14,a38,1).
bond(m488,a15,a16,1).
bond(m488,a15,a39,1).
bond(m488,a15,a40,1).
bond(m488,a16,a17,1).
bond(m488,a16,a41,1).
bond(m488,a16,a42,1).
bond(m488,a17,a43,1).
bond(m488,a17,a44,1).
bond(m488,a17,a45,1).
atm(m489,a1,n,nar,4.202,2.426,0.000,-0.034).
atm(m489,a2,c,car,3.520,1.257,0.000,-0.096).
atm(m489,a3,cl,cl,4.408,-0.172,0.000,0.143).
atm(m489,a4,c,car,2.118,1.220,0.000,-0.198).
atm(m489,a5,cl,cl,1.309,-0.239,0.000,0.147).
atm(m489,a6,c,car,1.412,2.426,0.000,-0.104).
atm(m489,a7,cl,cl,-0.256,2.426,0.000,0.147).
atm(m489,a8,c,car,2.118,3.632,0.000,-0.198).
atm(m489,a9,cl,cl,1.308,5.090,0.000,0.147).
atm(m489,a10,c,car,3.520,3.596,0.000,-0.096).
atm(m489,a11,cl,cl,4.408,5.024,0.000,0.143).
bond(m489,a1,a2,ar).
bond(m489,a1,a10,ar).
bond(m489,a2,a3,1).
bond(m489,a2,a4,ar).
bond(m489,a4,a5,1).
bond(m489,a4,a6,ar).
bond(m489,a6,a7,1).
bond(m489,a6,a8,ar).
bond(m489,a8,a9,1).
bond(m489,a8,a10,ar).
bond(m489,a10,a11,1).
atm(m48,a1,c,car,2.094,2.421,0.000,-0.165).
atm(m48,a2,c,car,3.351,3.007,0.031,-0.011).
atm(m48,a3,c,car,4.421,2.357,0.650,-0.201).
atm(m48,a4,c,car,4.212,1.111,1.248,-0.038).
atm(m48,a5,c,c2,5.767,2.996,0.690,0.330).
atm(m48,a6,o,o2,5.902,4.206,0.662,-0.319).
atm(m48,a7,c,c3,6.969,2.071,0.764,-0.152).
atm(m48,a8,c,c3,7.356,1.589,-0.616,-0.100).
atm(m48,a9,c,car,1.889,1.169,0.599,-0.054).
atm(m48,a10,c,car,2.960,0.518,1.232,-0.161).
atm(m48,a11,n,npl3,0.627,0.517,0.480,0.079).
atm(m48,a12,h,h,1.268,2.945,-0.495,0.114).
atm(m48,a13,h,h,3.506,3.990,-0.431,0.117).
atm(m48,a14,h,h,5.061,0.605,1.732,0.109).
atm(m48,a15,h,h,7.825,2.585,1.244,0.074).
atm(m48,a16,h,h,6.722,1.207,1.421,0.066).
atm(m48,a17,h,h,8.211,0.903,-0.567,0.041).
atm(m48,a18,h,h,6.531,1.054,-1.104,0.044).
atm(m48,a19,h,h,7.641,2.423,-1.271,0.048).
atm(m48,a20,h,h,2.817,-0.457,1.712,0.113).
atm(m48,a21,h,h,-0.121,1.166,0.384,0.034).
atm(m48,a22,h,h,0.464,-0.120,1.227,0.033).
bond(m48,a1,a2,ar).
bond(m48,a1,a9,ar).
bond(m48,a1,a12,1).
bond(m48,a2,a3,ar).
bond(m48,a2,a13,1).
bond(m48,a3,a4,ar).
bond(m48,a3,a5,1).
bond(m48,a4,a10,ar).
bond(m48,a4,a14,1).
bond(m48,a5,a6,2).
bond(m48,a5,a7,1).
bond(m48,a7,a8,1).
bond(m48,a7,a15,1).
bond(m48,a7,a16,1).
bond(m48,a8,a17,1).
bond(m48,a8,a18,1).
bond(m48,a8,a19,1).
bond(m48,a9,a10,ar).
bond(m48,a9,a11,1).
bond(m48,a10,a20,1).
bond(m48,a11,a21,1).
bond(m48,a11,a22,1).
atm(m490,a1,c,c3,2.100,0.000,0.000,-0.094).
atm(m490,a2,c,c3,1.384,1.348,0.000,-0.079).
atm(m490,a3,c,c3,2.083,2.318,-0.949,-0.105).
atm(m490,a4,c,c3,3.569,2.501,-0.599,0.089).
atm(m490,a5,c,c3,4.276,1.125,-0.585,-0.116).
atm(m490,a6,c,c3,3.568,0.150,0.356,-0.099).
atm(m490,a7,c,c3,5.789,1.146,-0.294,-0.075).
atm(m490,a8,c,c3,6.535,2.083,-1.230,-0.116).
atm(m490,a9,c,c3,6.135,1.457,1.155,-0.126).
atm(m490,a10,o,o3,3.613,3.222,0.616,-0.322).
atm(m490,a11,c,c3,-0.073,1.178,-0.395,-0.110).
atm(m490,a12,h,h,1.999,-0.480,-0.995,0.049).
atm(m490,a13,h,h,1.609,-0.687,0.717,0.050).
atm(m490,a14,h,h,1.427,1.772,1.034,0.079).
atm(m490,a15,h,h,1.566,3.298,-0.928,0.063).
atm(m490,a16,h,h,2.003,1.954,-1.993,0.052).
atm(m490,a17,h,h,4.050,3.141,-1.382,0.040).
atm(m490,a18,h,h,4.166,0.733,-1.629,0.069).
atm(m490,a19,h,h,4.063,-0.841,0.310,0.048).
atm(m490,a20,h,h,3.698,0.498,1.405,0.064).
atm(m490,a21,h,h,6.150,0.106,-0.499,0.062).
atm(m490,a22,h,h,7.621,1.962,-1.121,0.042).
atm(m490,a23,h,h,6.283,1.887,-2.280,0.043).
atm(m490,a24,h,h,6.306,3.139,-1.028,0.042).
atm(m490,a25,h,h,7.162,1.155,1.393,0.045).
atm(m490,a26,h,h,6.054,2.532,1.383,0.038).
atm(m490,a27,h,h,5.454,0.926,1.842,0.056).
atm(m490,a28,h,h,4.519,3.209,0.908,0.196).
atm(m490,a29,h,h,-0.594,0.495,0.289,0.038).
atm(m490,a30,h,h,-0.176,0.768,-1.409,0.037).
atm(m490,a31,h,h,-0.606,2.137,-0.374,0.040).
bond(m490,a1,a2,1).
bond(m490,a1,a6,1).
bond(m490,a1,a12,1).
bond(m490,a1,a13,1).
bond(m490,a2,a3,1).
bond(m490,a2,a11,1).
bond(m490,a2,a14,1).
bond(m490,a3,a4,1).
bond(m490,a3,a15,1).
bond(m490,a3,a16,1).
bond(m490,a4,a5,1).
bond(m490,a4,a10,1).
bond(m490,a4,a17,1).
bond(m490,a5,a6,1).
bond(m490,a5,a7,1).
bond(m490,a5,a18,1).
bond(m490,a6,a19,1).
bond(m490,a6,a20,1).
bond(m490,a7,a8,1).
bond(m490,a7,a9,1).
bond(m490,a7,a21,1).
bond(m490,a8,a22,1).
bond(m490,a8,a23,1).
bond(m490,a8,a24,1).
bond(m490,a9,a25,1).
bond(m490,a9,a26,1).
bond(m490,a9,a27,1).
bond(m490,a10,a28,1).
bond(m490,a11,a29,1).
bond(m490,a11,a30,1).
bond(m490,a11,a31,1).
atm(m491,a1,c,car,2.250,0.935,0.000,-0.182).
atm(m491,a2,c,car,1.197,0.063,-0.067,-0.136).
atm(m491,a3,n,nar,-0.006,0.795,0.024,-0.116).
atm(m491,a4,c,car,0.278,2.086,0.147,-0.101).
atm(m491,a5,n,npl3,1.693,2.247,0.134,-0.318).
atm(m491,a6,s,so2,2.611,3.769,0.265,2.305).
atm(m491,a7,o,o2,1.725,4.719,0.901,-0.818).
atm(m491,a8,o,o2,3.875,3.438,0.883,-0.816).
atm(m491,a9,c,car,2.825,4.149,-1.447,-0.604).
atm(m491,a10,c,car,3.933,3.672,-2.154,0.017).
atm(m491,a11,c,car,4.113,3.981,-3.495,-0.133).
atm(m491,a12,c,car,3.184,4.780,-4.163,-0.001).
atm(m491,a13,c,c3,3.361,5.119,-5.597,-0.080).
atm(m491,a14,c,car,2.074,5.264,-3.464,-0.134).
atm(m491,a15,c,car,1.900,4.951,-2.125,0.016).
atm(m491,a16,h,h,3.327,0.766,-0.014,0.153).
atm(m491,a17,h,h,1.186,-1.021,-0.170,0.142).
atm(m491,a18,h,h,-0.437,2.907,0.258,0.166).
atm(m491,a19,h,h,4.678,3.048,-1.640,0.119).
atm(m491,a20,h,h,4.990,3.597,-4.029,0.118).
atm(m491,a21,h,h,4.270,4.675,-6.023,0.052).
atm(m491,a22,h,h,2.507,4.762,-6.189,0.057).
atm(m491,a23,h,h,3.425,6.207,-5.734,0.057).
atm(m491,a24,h,h,1.341,5.894,-3.980,0.117).
atm(m491,a25,h,h,1.026,5.347,-1.588,0.120).
bond(m491,a1,a2,ar).
bond(m491,a1,a5,ar).
bond(m491,a1,a16,1).
bond(m491,a2,a3,ar).
bond(m491,a2,a17,1).
bond(m491,a3,a4,ar).
bond(m491,a4,a5,ar).
bond(m491,a4,a18,1).
bond(m491,a5,a6,1).
bond(m491,a6,a7,2).
bond(m491,a6,a8,2).
bond(m491,a6,a9,1).
bond(m491,a9,a10,ar).
bond(m491,a9,a15,ar).
bond(m491,a10,a11,ar).
bond(m491,a10,a19,1).
bond(m491,a11,a12,ar).
bond(m491,a11,a20,1).
bond(m491,a12,a13,1).
bond(m491,a12,a14,ar).
bond(m491,a13,a21,1).
bond(m491,a13,a22,1).
bond(m491,a13,a23,1).
bond(m491,a14,a15,ar).
bond(m491,a14,a24,1).
bond(m491,a15,a25,1).
atm(m492,a1,c,car,2.800,0.000,0.000,-0.041).
atm(m492,a2,c,car,2.117,1.217,-0.033,-0.154).
atm(m492,a3,c,c2,0.621,1.210,-0.060,0.329).
atm(m492,a4,o,o2,0.002,0.841,-1.037,-0.292).
atm(m492,a5,c,c3,-0.045,1.665,1.209,-0.172).
atm(m492,a6,c,car,2.842,2.410,-0.046,-0.087).
atm(m492,a7,cl,cl,2.055,3.900,-0.101,0.084).
atm(m492,a8,c,car,4.235,2.397,-0.018,-0.113).
atm(m492,a9,c,car,4.898,1.175,0.024,-0.106).
atm(m492,a10,cl,cl,6.580,1.146,0.062,0.083).
atm(m492,a11,c,car,4.189,-0.025,0.033,-0.109).
atm(m492,a12,h,h,2.237,-0.940,-0.006,0.115).
atm(m492,a13,h,h,0.242,2.703,1.431,0.071).
atm(m492,a14,h,h,-1.140,1.620,1.153,0.070).
atm(m492,a15,h,h,0.276,1.041,2.053,0.066).
atm(m492,a16,h,h,4.799,3.337,-0.031,0.133).
atm(m492,a17,h,h,4.728,-0.979,0.061,0.122).
bond(m492,a1,a2,ar).
bond(m492,a1,a11,ar).
bond(m492,a1,a12,1).
bond(m492,a2,a3,1).
bond(m492,a2,a6,ar).
bond(m492,a3,a4,2).
bond(m492,a3,a5,1).
bond(m492,a5,a13,1).
bond(m492,a5,a14,1).
bond(m492,a5,a15,1).
bond(m492,a6,a7,1).
bond(m492,a6,a8,ar).
bond(m492,a8,a9,ar).
bond(m492,a8,a16,1).
bond(m492,a9,a10,1).
bond(m492,a9,a11,ar).
bond(m492,a11,a17,1).
atm(m493,a1,c,c3,0.000,0.699,0.000,-0.110).
atm(m493,a2,c,c3,1.247,1.553,-0.029,-0.097).
atm(m493,a3,c,c3,2.503,0.708,0.111,-0.103).
atm(m493,a4,c,c3,3.756,1.568,0.081,-0.101).
atm(m493,a5,c,c3,5.011,0.721,0.221,-0.102).
atm(m493,a6,c,c3,6.264,1.581,0.191,-0.101).
atm(m493,a7,c,c3,7.516,0.732,0.331,-0.105).
atm(m493,a8,c,c3,8.765,1.605,0.300,0.052).
atm(m493,a9,c,c1,9.967,0.808,0.432,-0.156).
atm(m493,a10,n,n1,10.930,0.173,0.537,-0.069).
atm(m493,a11,h,h,-0.086,0.140,0.941,0.038).
atm(m493,a12,h,h,-0.905,1.312,-0.101,0.038).
atm(m493,a13,h,h,-0.008,-0.034,-0.817,0.038).
atm(m493,a14,h,h,1.287,2.134,-0.972,0.049).
atm(m493,a15,h,h,1.209,2.307,0.782,0.049).
atm(m493,a16,h,h,2.464,0.127,1.054,0.052).
atm(m493,a17,h,h,2.542,-0.047,-0.701,0.052).
atm(m493,a18,h,h,3.795,2.149,-0.863,0.051).
atm(m493,a19,h,h,3.717,2.323,0.892,0.051).
atm(m493,a20,h,h,4.972,0.140,1.165,0.053).
atm(m493,a21,h,h,5.050,-0.034,-0.591,0.053).
atm(m493,a22,h,h,6.302,2.162,-0.753,0.053).
atm(m493,a23,h,h,6.224,2.336,1.003,0.053).
atm(m493,a24,h,h,7.479,0.152,1.275,0.062).
atm(m493,a25,h,h,7.557,-0.022,-0.481,0.062).
atm(m493,a26,h,h,8.824,2.179,-0.648,0.070).
atm(m493,a27,h,h,8.746,2.353,1.119,0.070).
bond(m493,a1,a2,1).
bond(m493,a1,a11,1).
bond(m493,a1,a12,1).
bond(m493,a1,a13,1).
bond(m493,a2,a3,1).
bond(m493,a2,a14,1).
bond(m493,a2,a15,1).
bond(m493,a3,a4,1).
bond(m493,a3,a16,1).
bond(m493,a3,a17,1).
bond(m493,a4,a5,1).
bond(m493,a4,a18,1).
bond(m493,a4,a19,1).
bond(m493,a5,a6,1).
bond(m493,a5,a20,1).
bond(m493,a5,a21,1).
bond(m493,a6,a7,1).
bond(m493,a6,a22,1).
bond(m493,a6,a23,1).
bond(m493,a7,a8,1).
bond(m493,a7,a24,1).
bond(m493,a7,a25,1).
bond(m493,a8,a9,1).
bond(m493,a8,a26,1).
bond(m493,a8,a27,1).
bond(m493,a9,a10,3).
atm(m494,a1,n,npl3,6.068,1.214,0.000,0.085).
atm(m494,a2,c,car,4.806,1.880,0.004,-0.092).
atm(m494,a3,c,car,3.645,1.178,0.350,-0.078).
atm(m494,a4,c,car,2.399,1.792,0.248,-0.182).
atm(m494,a5,c,c3,1.176,0.969,0.650,0.413).
atm(m494,a6,f,f,-0.025,1.543,0.426,-0.128).
atm(m494,a7,f,f,1.158,0.650,1.966,-0.140).
atm(m494,a8,f,f,1.099,-0.226,0.017,-0.139).
atm(m494,a9,c,car,2.315,3.117,-0.199,0.096).
atm(m494,a10,f,f,1.129,3.734,-0.299,-0.078).
atm(m494,a11,c,car,3.477,3.824,-0.546,-0.108).
atm(m494,a12,c,car,4.713,3.208,-0.443,-0.091).
atm(m494,a13,h,h,6.823,1.847,0.137,0.035).
atm(m494,a14,h,h,6.096,0.463,0.653,0.037).
atm(m494,a15,h,h,3.699,0.139,0.704,0.127).
atm(m494,a16,h,h,3.401,4.860,-0.896,0.127).
atm(m494,a17,h,h,5.615,3.769,-0.716,0.116).
bond(m494,a1,a2,1).
bond(m494,a1,a13,1).
bond(m494,a1,a14,1).
bond(m494,a2,a3,ar).
bond(m494,a2,a12,ar).
bond(m494,a3,a4,ar).
bond(m494,a3,a15,1).
bond(m494,a4,a5,1).
bond(m494,a4,a9,ar).
bond(m494,a5,a6,1).
bond(m494,a5,a7,1).
bond(m494,a5,a8,1).
bond(m494,a9,a10,1).
bond(m494,a9,a11,ar).
bond(m494,a11,a12,ar).
bond(m494,a11,a16,1).
bond(m494,a12,a17,1).
atm(m495,a1,c,c3,2.802,1.212,0.000,-0.065).
atm(m495,a2,c,c3,2.193,-0.192,-0.102,-0.093).
atm(m495,a3,c,c3,0.671,-0.179,-0.063,-0.097).
atm(m495,a4,c,c3,0.109,1.110,-0.631,-0.092).
atm(m495,a5,c,c3,0.526,2.312,0.204,-0.132).
atm(m495,a6,c,c3,1.905,2.123,0.870,0.081).
atm(m495,a7,o,o3,2.494,3.368,1.163,-0.302).
atm(m495,a8,c,car,4.212,1.126,0.515,-0.069).
atm(m495,a9,c,car,5.271,1.484,-0.322,-0.103).
atm(m495,a10,c,car,6.583,1.399,0.131,-0.101).
atm(m495,a11,c,car,6.850,0.956,1.421,-0.103).
atm(m495,a12,c,car,5.799,0.599,2.260,-0.099).
atm(m495,a13,c,car,4.486,0.681,1.810,-0.088).
atm(m495,a14,h,h,2.830,1.657,-1.028,0.066).
atm(m495,a15,h,h,2.574,-0.837,0.716,0.058).
atm(m495,a16,h,h,2.549,-0.665,-1.038,0.051).
atm(m495,a17,h,h,0.315,-0.307,0.979,0.051).
atm(m495,a18,h,h,0.273,-1.048,-0.621,0.051).
atm(m495,a19,h,h,-0.996,1.056,-0.685,0.051).
atm(m495,a20,h,h,0.449,1.233,-1.679,0.049).
atm(m495,a21,h,h,-0.226,2.506,0.994,0.058).
atm(m495,a22,h,h,0.520,3.221,-0.432,0.054).
atm(m495,a23,h,h,1.790,1.686,1.890,0.074).
atm(m495,a24,h,h,2.766,3.757,0.341,0.183).
atm(m495,a25,h,h,5.071,1.834,-1.341,0.103).
atm(m495,a26,h,h,7.408,1.682,-0.532,0.102).
atm(m495,a27,h,h,7.883,0.891,1.777,0.103).
atm(m495,a28,h,h,6.005,0.253,3.278,0.102).
atm(m495,a29,h,h,3.663,0.403,2.479,0.108).
bond(m495,a1,a2,1).
bond(m495,a1,a6,1).
bond(m495,a1,a8,1).
bond(m495,a1,a14,1).
bond(m495,a2,a3,1).
bond(m495,a2,a15,1).
bond(m495,a2,a16,1).
bond(m495,a3,a4,1).
bond(m495,a3,a17,1).
bond(m495,a3,a18,1).
bond(m495,a4,a5,1).
bond(m495,a4,a19,1).
bond(m495,a4,a20,1).
bond(m495,a5,a6,1).
bond(m495,a5,a21,1).
bond(m495,a5,a22,1).
bond(m495,a6,a7,1).
bond(m495,a6,a23,1).
bond(m495,a7,a24,1).
bond(m495,a8,a9,ar).
bond(m495,a8,a13,ar).
bond(m495,a9,a10,ar).
bond(m495,a9,a25,1).
bond(m495,a10,a11,ar).
bond(m495,a10,a26,1).
bond(m495,a11,a12,ar).
bond(m495,a11,a27,1).
bond(m495,a12,a13,ar).
bond(m495,a12,a28,1).
bond(m495,a13,a29,1).
atm(m496,a1,c,c2,8.383,0.000,0.000,-0.106).
atm(m496,a2,c,c2,7.806,1.088,-0.506,-0.132).
atm(m496,a3,c,c3,8.562,2.229,-1.080,-0.064).
atm(m496,a4,c,c2,6.319,1.218,-0.555,0.413).
atm(m496,a5,o,o2,5.606,1.149,-1.535,-0.370).
atm(m496,a6,o,o3,5.775,1.450,0.679,-0.261).
atm(m496,a7,c,c3,4.374,1.637,0.809,0.064).
atm(m496,a8,c,c3,3.628,0.296,0.860,0.027).
atm(m496,a9,o,o3,2.320,0.595,1.320,-0.266).
atm(m496,a10,c,c3,1.463,-0.538,1.337,0.068).
atm(m496,a11,c,c3,0.118,-0.070,1.859,-0.120).
atm(m496,a12,h,h,9.462,-0.127,0.025,0.088).
atm(m496,a13,h,h,7.823,-0.830,0.419,0.087).
atm(m496,a14,h,h,9.647,2.061,-1.043,0.048).
atm(m496,a15,h,h,8.285,2.393,-2.130,0.059).
atm(m496,a16,h,h,8.349,3.155,-0.529,0.052).
atm(m496,a17,h,h,4.326,2.176,1.773,0.067).
atm(m496,a18,h,h,3.970,2.300,0.021,0.065).
atm(m496,a19,h,h,3.592,-0.183,-0.139,0.047).
atm(m496,a20,h,h,4.118,-0.417,1.552,0.036).
atm(m496,a21,h,h,1.373,-0.960,0.316,0.030).
atm(m496,a22,h,h,1.893,-1.328,1.983,0.026).
atm(m496,a23,h,h,-0.322,0.709,1.222,0.050).
atm(m496,a24,h,h,0.192,0.343,2.874,0.048).
atm(m496,a25,h,h,-0.588,-0.909,1.893,0.043).
bond(m496,a1,a2,2).
bond(m496,a1,a12,1).
bond(m496,a1,a13,1).
bond(m496,a2,a3,1).
bond(m496,a2,a4,1).
bond(m496,a3,a14,1).
bond(m496,a3,a15,1).
bond(m496,a3,a16,1).
bond(m496,a4,a5,2).
bond(m496,a4,a6,1).
bond(m496,a6,a7,1).
bond(m496,a7,a8,1).
bond(m496,a7,a17,1).
bond(m496,a7,a18,1).
bond(m496,a8,a9,1).
bond(m496,a8,a19,1).
bond(m496,a8,a20,1).
bond(m496,a9,a10,1).
bond(m496,a10,a11,1).
bond(m496,a10,a21,1).
bond(m496,a10,a22,1).
bond(m496,a11,a23,1).
bond(m496,a11,a24,1).
bond(m496,a11,a25,1).
atm(m497,a1,o,o3,1.400,3.640,0.000,-0.234).
atm(m497,a2,c,car,2.051,2.435,-0.002,0.104).
atm(m497,a3,c,car,3.453,2.327,-0.096,-0.163).
atm(m497,a4,c,c3,4.303,3.542,-0.213,-0.061).
atm(m497,a5,c,car,4.034,1.053,-0.084,-0.039).
atm(m497,a6,c,c3,5.509,0.882,-0.174,-0.075).
atm(m497,a7,c,car,3.225,-0.080,0.008,-0.139).
atm(m497,a8,c,car,1.844,0.039,0.088,-0.071).
atm(m497,a9,c,car,1.235,1.292,0.087,-0.114).
atm(m497,a10,c,c3,-0.243,1.406,0.178,-0.050).
atm(m497,a11,h,h,2.063,4.323,0.044,0.202).
atm(m497,a12,h,h,5.281,3.386,0.272,0.058).
atm(m497,a13,h,h,4.495,3.782,-1.268,0.049).
atm(m497,a14,h,h,3.835,4.426,0.248,0.034).
atm(m497,a15,h,h,6.039,1.753,0.247,0.050).
atm(m497,a16,h,h,5.850,-0.013,0.362,0.048).
atm(m497,a17,h,h,5.821,0.783,-1.223,0.049).
atm(m497,a18,h,h,3.685,-1.074,0.018,0.107).
atm(m497,a19,h,h,1.226,-0.863,0.156,0.104).
atm(m497,a20,h,h,-0.539,1.993,1.059,0.049).
atm(m497,a21,h,h,-0.728,0.424,0.255,0.039).
atm(m497,a22,h,h,-0.654,1.911,-0.707,0.050).
bond(m497,a1,a2,1).
bond(m497,a1,a11,1).
bond(m497,a2,a3,ar).
bond(m497,a2,a9,ar).
bond(m497,a3,a4,1).
bond(m497,a3,a5,ar).
bond(m497,a4,a12,1).
bond(m497,a4,a13,1).
bond(m497,a4,a14,1).
bond(m497,a5,a6,1).
bond(m497,a5,a7,ar).
bond(m497,a6,a15,1).
bond(m497,a6,a16,1).
bond(m497,a6,a17,1).
bond(m497,a7,a8,ar).
bond(m497,a7,a18,1).
bond(m497,a8,a9,ar).
bond(m497,a8,a19,1).
bond(m497,a9,a10,1).
bond(m497,a10,a20,1).
bond(m497,a10,a21,1).
bond(m497,a10,a22,1).
atm(m498,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m498,a2,c,c3,1.283,0.800,0.013,-0.098).
atm(m498,a3,c,c3,2.494,-0.086,-0.233,-0.103).
atm(m498,a4,c,c3,3.783,0.720,-0.219,-0.102).
atm(m498,a5,c,c3,4.992,-0.167,-0.464,-0.102).
atm(m498,a6,c,c3,6.281,0.639,-0.450,-0.102).
atm(m498,a7,c,c3,7.490,-0.248,-0.697,-0.101).
atm(m498,a8,c,c3,8.778,0.558,-0.681,-0.102).
atm(m498,a9,c,c3,9.988,-0.329,-0.929,-0.101).
atm(m498,a10,c,c3,11.275,0.480,-0.912,-0.105).
atm(m498,a11,c,c3,12.479,-0.420,-1.163,0.052).
atm(m498,a12,c,c1,13.713,0.338,-1.149,-0.156).
atm(m498,a13,n,n1,14.702,0.942,-1.138,-0.069).
atm(m498,a14,h,h,-0.001,-0.776,0.777,0.038).
atm(m498,a15,h,h,-0.872,0.642,0.177,0.037).
atm(m498,a16,h,h,-0.154,-0.504,-0.964,0.038).
atm(m498,a17,h,h,1.239,1.599,-0.755,0.049).
atm(m498,a18,h,h,1.391,1.326,0.982,0.049).
atm(m498,a19,h,h,2.538,-0.885,0.535,0.051).
atm(m498,a20,h,h,2.386,-0.612,-1.203,0.051).
atm(m498,a21,h,h,3.737,1.519,-0.987,0.051).
atm(m498,a22,h,h,3.889,1.247,0.751,0.051).
atm(m498,a23,h,h,5.037,-0.966,0.303,0.051).
atm(m498,a24,h,h,4.885,-0.693,-1.434,0.051).
atm(m498,a25,h,h,6.235,1.439,-1.216,0.052).
atm(m498,a26,h,h,6.388,1.164,0.521,0.052).
atm(m498,a27,h,h,7.535,-1.049,0.069,0.051).
atm(m498,a28,h,h,7.383,-0.772,-1.668,0.051).
atm(m498,a29,h,h,8.733,1.359,-1.447,0.053).
atm(m498,a30,h,h,8.886,1.082,0.290,0.053).
atm(m498,a31,h,h,10.033,-1.130,-0.163,0.053).
atm(m498,a32,h,h,9.880,-0.852,-1.901,0.053).
atm(m498,a33,h,h,11.230,1.280,-1.678,0.062).
atm(m498,a34,h,h,11.383,1.002,0.060,0.062).
atm(m498,a35,h,h,12.545,-1.217,-0.393,0.070).
atm(m498,a36,h,h,12.392,-0.936,-2.141,0.070).
bond(m498,a1,a2,1).
bond(m498,a1,a14,1).
bond(m498,a1,a15,1).
bond(m498,a1,a16,1).
bond(m498,a2,a3,1).
bond(m498,a2,a17,1).
bond(m498,a2,a18,1).
bond(m498,a3,a4,1).
bond(m498,a3,a19,1).
bond(m498,a3,a20,1).
bond(m498,a4,a5,1).
bond(m498,a4,a21,1).
bond(m498,a4,a22,1).
bond(m498,a5,a6,1).
bond(m498,a5,a23,1).
bond(m498,a5,a24,1).
bond(m498,a6,a7,1).
bond(m498,a6,a25,1).
bond(m498,a6,a26,1).
bond(m498,a7,a8,1).
bond(m498,a7,a27,1).
bond(m498,a7,a28,1).
bond(m498,a8,a9,1).
bond(m498,a8,a29,1).
bond(m498,a8,a30,1).
bond(m498,a9,a10,1).
bond(m498,a9,a31,1).
bond(m498,a9,a32,1).
bond(m498,a10,a11,1).
bond(m498,a10,a33,1).
bond(m498,a10,a34,1).
bond(m498,a11,a12,1).
bond(m498,a11,a35,1).
bond(m498,a11,a36,1).
bond(m498,a12,a13,3).
atm(m499,a1,c,car,2.797,2.425,0.000,0.116).
atm(m499,a2,o,o3,2.105,3.625,-0.008,-0.211).
atm(m499,a3,c,c3,2.858,4.787,-0.272,0.052).
atm(m499,a4,c,car,4.174,2.346,0.239,-0.191).
atm(m499,a5,c,car,4.793,1.104,0.289,-0.041).
atm(m499,a6,c,car,4.049,-0.056,0.100,-0.145).
atm(m499,a7,c,car,2.682,0.022,-0.141,-0.015).
atm(m499,a8,c,car,2.034,1.258,-0.194,-0.162).
atm(m499,a9,c,c2,0.568,1.281,-0.466,0.280).
atm(m499,a10,o,o2,-0.011,0.450,-1.155,-0.379).
atm(m499,a11,n,nam,-0.215,2.269,0.182,-0.015).
atm(m499,a12,h,h,3.796,4.826,0.301,0.037).
atm(m499,a13,h,h,3.082,4.866,-1.341,0.032).
atm(m499,a14,h,h,2.184,5.589,0.038,0.051).
atm(m499,a15,h,h,4.753,3.269,0.391,0.122).
atm(m499,a16,h,h,5.869,1.042,0.479,0.103).
atm(m499,a17,h,h,4.540,-1.034,0.139,0.111).
atm(m499,a18,h,h,2.101,-0.896,-0.301,0.123).
atm(m499,a19,h,h,0.291,3.117,0.350,0.072).
atm(m499,a20,h,h,-1.118,2.418,-0.209,0.058).
bond(m499,a1,a2,1).
bond(m499,a1,a4,ar).
bond(m499,a1,a8,ar).
bond(m499,a2,a3,1).
bond(m499,a3,a12,1).
bond(m499,a3,a13,1).
bond(m499,a3,a14,1).
bond(m499,a4,a5,ar).
bond(m499,a4,a15,1).
bond(m499,a5,a6,ar).
bond(m499,a5,a16,1).
bond(m499,a6,a7,ar).
bond(m499,a6,a17,1).
bond(m499,a7,a8,ar).
bond(m499,a7,a18,1).
bond(m499,a8,a9,1).
bond(m499,a9,a10,2).
bond(m499,a9,a11,1).
bond(m499,a11,a19,1).
bond(m499,a11,a20,1).
atm(m49,a1,o,o3,0.000,0.699,0.000,-0.320).
atm(m49,a2,c,c3,1.193,-0.046,0.000,0.063).
atm(m49,a3,c,c3,2.477,0.782,0.002,-0.135).
atm(m49,a4,c,c3,3.693,-0.115,0.002,-0.104).
atm(m49,a5,h,h,0.221,1.622,-0.001,0.189).
atm(m49,a6,h,h,1.137,-0.699,0.891,0.040).
atm(m49,a7,h,h,1.139,-0.697,-0.892,0.040).
atm(m49,a8,h,h,2.502,1.452,-0.881,0.052).
atm(m49,a9,h,h,2.500,1.451,0.885,0.052).
atm(m49,a10,h,h,4.620,0.472,0.003,0.040).
atm(m49,a11,h,h,3.715,-0.766,0.887,0.041).
atm(m49,a12,h,h,3.716,-0.765,-0.882,0.041).
bond(m49,a1,a2,1).
bond(m49,a1,a5,1).
bond(m49,a2,a3,1).
bond(m49,a2,a6,1).
bond(m49,a2,a7,1).
bond(m49,a3,a4,1).
bond(m49,a3,a8,1).
bond(m49,a3,a9,1).
bond(m49,a4,a10,1).
bond(m49,a4,a11,1).
bond(m49,a4,a12,1).
atm(m4,a1,c,car,6.295,2.418,0.000,-0.090).
atm(m4,a2,c,car,7.685,2.383,-0.010,-0.093).
atm(m4,a3,c,car,8.343,1.191,-0.309,-0.127).
atm(m4,a4,cl,cl,10.026,1.158,-0.322,0.081).
atm(m4,a5,c,car,7.633,0.026,-0.593,-0.092).
atm(m4,a6,c,car,6.244,0.047,-0.585,-0.092).
atm(m4,a7,c,car,5.588,1.247,-0.290,0.034).
atm(m4,a8,o,o3,4.200,1.254,-0.138,-0.138).
atm(m4,a9,c,car,3.456,1.384,-1.292,0.166).
atm(m4,a10,c,car,2.073,1.182,-1.140,-0.418).
atm(m4,a11,n,n4,1.469,0.796,0.182,1.324).
atm(m4,a12,o,oco2,1.505,-0.366,0.526,-0.589).
atm(m4,a13,o,oco2,0.931,1.653,0.851,-0.591).
atm(m4,a14,c,car,1.233,1.341,-2.246,0.001).
atm(m4,a15,c,car,1.763,1.682,-3.482,-0.143).
atm(m4,a16,c,car,3.135,1.872,-3.629,-0.020).
atm(m4,a17,c,car,3.986,1.727,-2.543,-0.182).
atm(m4,a18,h,h,5.765,3.346,0.243,0.125).
atm(m4,a19,h,h,8.264,3.285,0.218,0.122).
atm(m4,a20,h,h,8.173,-0.901,-0.817,0.122).
atm(m4,a21,h,h,5.673,-0.865,-0.796,0.127).
atm(m4,a22,h,h,0.149,1.198,-2.144,0.115).
atm(m4,a23,h,h,1.099,1.803,-4.345,0.117).
atm(m4,a24,h,h,3.547,2.140,-4.609,0.108).
atm(m4,a25,h,h,5.066,1.881,-2.662,0.131).
bond(m4,a1,a2,ar).
bond(m4,a1,a7,ar).
bond(m4,a1,a18,1).
bond(m4,a2,a3,ar).
bond(m4,a2,a19,1).
bond(m4,a3,a4,1).
bond(m4,a3,a5,ar).
bond(m4,a5,a6,ar).
bond(m4,a5,a20,1).
bond(m4,a6,a7,ar).
bond(m4,a6,a21,1).
bond(m4,a7,a8,1).
bond(m4,a8,a9,1).
bond(m4,a9,a10,ar).
bond(m4,a9,a17,ar).
bond(m4,a10,a11,1).
bond(m4,a10,a14,ar).
bond(m4,a11,a12,2).
bond(m4,a11,a13,1).
bond(m4,a14,a15,ar).
bond(m4,a14,a22,1).
bond(m4,a15,a16,ar).
bond(m4,a15,a23,1).
bond(m4,a16,a17,ar).
bond(m4,a16,a24,1).
bond(m4,a17,a25,1).
atm(m500,a1,c,car,2.800,2.428,0.000,-0.086).
atm(m500,a2,cl,cl,1.959,3.885,0.020,0.101).
atm(m500,a3,c,car,4.193,2.468,0.006,-0.119).
atm(m500,a4,c,car,4.906,1.273,0.000,-0.100).
atm(m500,a5,cl,cl,6.588,1.312,0.003,0.085).
atm(m500,a6,c,car,4.246,0.045,-0.004,-0.114).
atm(m500,a7,c,car,2.858,0.015,-0.005,-0.034).
atm(m500,a8,c,car,2.125,1.204,-0.014,-0.138).
atm(m500,a9,c,c2,0.635,1.126,-0.006,0.268).
atm(m500,a10,o,o2,-0.016,0.534,0.842,-0.353).
atm(m500,a11,n,nam,-0.062,1.827,-1.021,0.002).
atm(m500,a12,h,h,4.719,3.430,0.020,0.133).
atm(m500,a13,h,h,4.824,-0.886,0.001,0.123).
atm(m500,a14,h,h,2.332,-0.947,0.010,0.119).
atm(m500,a15,h,h,0.448,1.949,-1.865,0.050).
atm(m500,a16,h,h,-1.008,1.552,-1.163,0.063).
bond(m500,a1,a2,1).
bond(m500,a1,a3,ar).
bond(m500,a1,a8,ar).
bond(m500,a3,a4,ar).
bond(m500,a3,a12,1).
bond(m500,a4,a5,1).
bond(m500,a4,a6,ar).
bond(m500,a6,a7,ar).
bond(m500,a6,a13,1).
bond(m500,a7,a8,ar).
bond(m500,a7,a14,1).
bond(m500,a8,a9,1).
bond(m500,a9,a10,2).
bond(m500,a9,a11,1).
bond(m500,a11,a15,1).
bond(m500,a11,a16,1).
atm(m501,a1,c,c2,0.000,1.209,0.000,-0.089).
atm(m501,a2,c,c2,1.319,1.343,0.121,-0.170).
atm(m501,a3,c,c3,2.204,0.285,0.674,-0.071).
atm(m501,a4,c,c2,1.995,2.615,-0.265,0.397).
atm(m501,a5,o,o2,1.967,3.674,0.326,-0.332).
atm(m501,a6,o,o3,2.772,2.747,-1.379,-0.230).
atm(m501,a7,c,c3,2.940,1.609,-2.215,0.020).
atm(m501,a8,c,c3,3.865,1.968,-3.393,0.072).
atm(m501,a9,o,o3,3.223,2.864,-4.298,-0.264).
atm(m501,a10,c,c3,3.818,4.153,-4.207,0.063).
atm(m501,a11,c,c3,5.182,4.012,-3.529,-0.119).
atm(m501,a12,c,c3,5.207,2.589,-2.976,-0.116).
atm(m501,a13,h,h,-0.523,0.302,0.290,0.087).
atm(m501,a14,h,h,-0.642,1.994,-0.391,0.093).
atm(m501,a15,h,h,2.994,0.031,-0.054,0.052).
atm(m501,a16,h,h,2.692,0.627,1.596,0.060).
atm(m501,a17,h,h,1.653,-0.635,0.908,0.051).
atm(m501,a18,h,h,3.379,0.778,-1.619,0.045).
atm(m501,a19,h,h,1.951,1.275,-2.583,0.051).
atm(m501,a20,h,h,4.001,1.043,-3.997,0.064).
atm(m501,a21,h,h,3.130,4.809,-3.646,0.047).
atm(m501,a22,h,h,3.868,4.514,-5.247,0.046).
atm(m501,a23,h,h,5.313,4.765,-2.732,0.065).
atm(m501,a24,h,h,6.009,4.184,-4.242,0.054).
atm(m501,a25,h,h,6.054,2.010,-3.388,0.055).
atm(m501,a26,h,h,5.344,2.577,-1.879,0.069).
bond(m501,a1,a2,2).
bond(m501,a1,a13,1).
bond(m501,a1,a14,1).
bond(m501,a2,a3,1).
bond(m501,a2,a4,1).
bond(m501,a3,a15,1).
bond(m501,a3,a16,1).
bond(m501,a3,a17,1).
bond(m501,a4,a5,2).
bond(m501,a4,a6,1).
bond(m501,a6,a7,1).
bond(m501,a7,a8,1).
bond(m501,a7,a18,1).
bond(m501,a7,a19,1).
bond(m501,a8,a9,1).
bond(m501,a8,a12,1).
bond(m501,a8,a20,1).
bond(m501,a9,a10,1).
bond(m501,a10,a11,1).
bond(m501,a10,a21,1).
bond(m501,a10,a22,1).
bond(m501,a11,a12,1).
bond(m501,a11,a23,1).
bond(m501,a11,a24,1).
bond(m501,a12,a25,1).
bond(m501,a12,a26,1).
atm(m502,a1,o,o3,4.848,2.800,0.000,-0.236).
atm(m502,a2,c,car,3.639,2.155,0.001,0.057).
atm(m502,a3,c,car,3.425,0.760,0.004,0.013).
atm(m502,a4,o,o3,4.352,-0.271,0.008,-0.178).
atm(m502,a5,c,c3,5.721,0.030,0.007,0.039).
atm(m502,a6,c,car,2.111,0.264,0.004,-0.094).
atm(m502,a7,c,car,1.036,1.141,0.001,-0.143).
atm(m502,a8,cl,cl,-0.533,0.539,0.002,0.094).
atm(m502,a9,c,car,1.250,2.521,-0.002,-0.132).
atm(m502,a10,cl,cl,-0.063,3.570,-0.005,0.095).
atm(m502,a11,c,car,2.541,3.030,-0.002,-0.108).
atm(m502,a12,h,h,5.542,2.145,0.001,0.205).
atm(m502,a13,h,h,6.179,-0.962,0.009,0.064).
atm(m502,a14,h,h,6.028,0.587,-0.889,0.028).
atm(m502,a15,h,h,6.029,0.592,0.899,0.028).
atm(m502,a16,h,h,1.926,-0.819,0.007,0.134).
atm(m502,a17,h,h,2.700,4.116,-0.005,0.136).
bond(m502,a1,a2,1).
bond(m502,a1,a12,1).
bond(m502,a2,a3,ar).
bond(m502,a2,a11,ar).
bond(m502,a3,a4,1).
bond(m502,a3,a6,ar).
bond(m502,a4,a5,1).
bond(m502,a5,a13,1).
bond(m502,a5,a14,1).
bond(m502,a5,a15,1).
bond(m502,a6,a7,ar).
bond(m502,a6,a16,1).
bond(m502,a7,a8,1).
bond(m502,a7,a9,ar).
bond(m502,a9,a10,1).
bond(m502,a9,a11,ar).
bond(m502,a11,a17,1).
atm(m503,a1,c,c2,2.096,0.000,0.000,-0.122).
atm(m503,a2,c,c2,1.473,1.177,0.058,-0.147).
atm(m503,a3,c,c3,0.060,1.365,-0.358,-0.066).
atm(m503,a4,c,c2,2.144,2.389,0.610,0.390).
atm(m503,a5,o,o2,1.733,3.098,1.506,-0.329).
atm(m503,a6,o,o3,3.338,2.889,0.180,-0.230).
atm(m503,a7,c,c3,4.047,2.192,-0.843,0.096).
atm(m503,a8,c,car,5.325,2.940,-1.077,-0.105).
atm(m503,a9,c,car,5.386,3.932,-2.056,-0.074).
atm(m503,a10,c,car,6.575,4.617,-2.279,-0.106).
atm(m503,a11,c,car,7.705,4.317,-1.525,-0.090).
atm(m503,a12,c,car,7.646,3.330,-0.546,-0.105).
atm(m503,a13,c,car,6.459,2.642,-0.321,-0.074).
atm(m503,a14,h,h,3.144,-0.118,0.279,0.092).
atm(m503,a15,h,h,1.610,-0.907,-0.347,0.094).
atm(m503,a16,h,h,-0.545,1.750,0.475,0.067).
atm(m503,a17,h,h,-0.398,0.428,-0.701,0.047).
atm(m503,a18,h,h,-0.008,2.091,-1.180,0.052).
atm(m503,a19,h,h,4.239,1.147,-0.512,0.044).
atm(m503,a20,h,h,3.430,2.145,-1.761,0.042).
atm(m503,a21,h,h,4.495,4.175,-2.646,0.106).
atm(m503,a22,h,h,6.620,5.397,-3.046,0.105).
atm(m503,a23,h,h,8.640,4.859,-1.701,0.103).
atm(m503,a24,h,h,8.534,3.096,0.050,0.105).
atm(m503,a25,h,h,6.412,1.870,0.456,0.105).
bond(m503,a1,a2,2).
bond(m503,a1,a14,1).
bond(m503,a1,a15,1).
bond(m503,a2,a3,1).
bond(m503,a2,a4,1).
bond(m503,a3,a16,1).
bond(m503,a3,a17,1).
bond(m503,a3,a18,1).
bond(m503,a4,a5,2).
bond(m503,a4,a6,1).
bond(m503,a6,a7,1).
bond(m503,a7,a8,1).
bond(m503,a7,a19,1).
bond(m503,a7,a20,1).
bond(m503,a8,a9,ar).
bond(m503,a8,a13,ar).
bond(m503,a9,a10,ar).
bond(m503,a9,a21,1).
bond(m503,a10,a11,ar).
bond(m503,a10,a22,1).
bond(m503,a11,a12,ar).
bond(m503,a11,a23,1).
bond(m503,a12,a13,ar).
bond(m503,a12,a24,1).
bond(m503,a13,a25,1).
atm(m504,a1,c,c2,0.000,0.699,0.000,-0.059).
atm(m504,a2,c,c2,1.146,0.024,0.000,-0.184).
atm(m504,a3,c,c2,2.456,0.716,0.000,0.407).
atm(m504,a4,o,o2,2.675,1.914,-0.001,-0.385).
atm(m504,a5,o,o3,3.503,-0.159,0.000,-0.266).
atm(m504,a6,c,c3,4.830,0.371,-0.001,0.075).
atm(m504,a7,c,c3,5.772,-0.829,-0.001,-0.117).
atm(m504,a8,c,c3,7.218,-0.360,-0.001,-0.098).
atm(m504,a9,c,c3,8.178,-1.538,-0.001,-0.103).
atm(m504,a10,c,c3,9.625,-1.073,-0.002,-0.098).
atm(m504,a11,c,c3,10.582,-2.244,-0.002,-0.109).
atm(m504,a12,h,h,-0.055,1.786,0.000,0.096).
atm(m504,a13,h,h,-0.965,0.201,0.000,0.079).
atm(m504,a14,h,h,1.167,-1.073,0.000,0.122).
atm(m504,a15,h,h,4.981,1.006,-0.895,0.049).
atm(m504,a16,h,h,4.981,1.006,0.893,0.049).
atm(m504,a17,h,h,5.580,-1.472,0.882,0.061).
atm(m504,a18,h,h,5.580,-1.473,-0.883,0.061).
atm(m504,a19,h,h,7.407,0.283,-0.884,0.052).
atm(m504,a20,h,h,7.408,0.283,0.882,0.052).
atm(m504,a21,h,h,7.989,-2.182,0.882,0.052).
atm(m504,a22,h,h,7.988,-2.182,-0.883,0.052).
atm(m504,a23,h,h,9.814,-0.430,-0.884,0.049).
atm(m504,a24,h,h,9.814,-0.430,0.880,0.049).
atm(m504,a25,h,h,11.626,-1.905,-0.002,0.038).
atm(m504,a26,h,h,10.444,-2.880,0.883,0.038).
atm(m504,a27,h,h,10.443,-2.881,-0.886,0.038).
bond(m504,a1,a2,2).
bond(m504,a1,a12,1).
bond(m504,a1,a13,1).
bond(m504,a2,a3,1).
bond(m504,a2,a14,1).
bond(m504,a3,a4,2).
bond(m504,a3,a5,1).
bond(m504,a5,a6,1).
bond(m504,a6,a7,1).
bond(m504,a6,a15,1).
bond(m504,a6,a16,1).
bond(m504,a7,a8,1).
bond(m504,a7,a17,1).
bond(m504,a7,a18,1).
bond(m504,a8,a9,1).
bond(m504,a8,a19,1).
bond(m504,a8,a20,1).
bond(m504,a9,a10,1).
bond(m504,a9,a21,1).
bond(m504,a9,a22,1).
bond(m504,a10,a11,1).
bond(m504,a10,a23,1).
bond(m504,a10,a24,1).
bond(m504,a11,a25,1).
bond(m504,a11,a26,1).
bond(m504,a11,a27,1).
atm(m505,a1,c,c3,0.000,1.403,0.000,-0.119).
atm(m505,a2,c,c3,1.484,1.044,0.085,0.004).
atm(m505,a3,c,c3,1.764,0.492,1.484,-0.119).
atm(m505,a4,c,c3,1.806,-0.031,-0.957,-0.113).
atm(m505,a5,c,car,2.358,2.247,-0.213,-0.070).
atm(m505,a6,c,car,3.640,2.342,0.336,-0.098).
atm(m505,a7,c,car,4.464,3.421,0.044,-0.113).
atm(m505,a8,c,car,3.996,4.416,-0.820,0.040).
atm(m505,a9,o,o3,4.892,5.411,-1.205,-0.163).
atm(m505,a10,c,c2,4.664,6.707,-0.841,0.330).
atm(m505,a11,o,o2,5.380,7.457,-1.475,-0.359).
atm(m505,a12,n,nam,3.669,7.130,0.120,-0.040).
atm(m505,a13,c,c3,3.803,6.591,1.487,-0.105).
atm(m505,a14,c,car,2.725,4.332,-1.395,-0.104).
atm(m505,a15,c,car,1.917,3.246,-1.084,-0.095).
atm(m505,a16,h,h,-0.292,2.098,0.798,0.046).
atm(m505,a17,h,h,-0.629,0.508,0.090,0.047).
atm(m505,a18,h,h,-0.239,1.888,-0.961,0.047).
atm(m505,a19,h,h,2.839,0.294,1.627,0.046).
atm(m505,a20,h,h,1.456,1.200,2.264,0.045).
atm(m505,a21,h,h,1.224,-0.448,1.654,0.047).
atm(m505,a22,h,h,2.864,-0.322,-0.914,0.045).
atm(m505,a23,h,h,1.204,-0.935,-0.797,0.044).
atm(m505,a24,h,h,1.602,0.329,-1.974,0.046).
atm(m505,a25,h,h,3.991,1.544,1.009,0.117).
atm(m505,a26,h,h,5.471,3.481,0.472,0.119).
atm(m505,a27,h,h,3.610,8.127,0.134,0.079).
atm(m505,a28,h,h,4.691,6.960,2.020,0.035).
atm(m505,a29,h,h,3.848,5.492,1.460,0.065).
atm(m505,a30,h,h,2.911,6.883,2.057,0.056).
atm(m505,a31,h,h,2.369,5.108,-2.082,0.120).
atm(m505,a32,h,h,0.913,3.159,-1.529,0.118).
bond(m505,a1,a2,1).
bond(m505,a1,a16,1).
bond(m505,a1,a17,1).
bond(m505,a1,a18,1).
bond(m505,a2,a3,1).
bond(m505,a2,a4,1).
bond(m505,a2,a5,1).
bond(m505,a3,a19,1).
bond(m505,a3,a20,1).
bond(m505,a3,a21,1).
bond(m505,a4,a22,1).
bond(m505,a4,a23,1).
bond(m505,a4,a24,1).
bond(m505,a5,a6,ar).
bond(m505,a5,a15,ar).
bond(m505,a6,a7,ar).
bond(m505,a6,a25,1).
bond(m505,a7,a8,ar).
bond(m505,a7,a26,1).
bond(m505,a8,a9,1).
bond(m505,a8,a14,ar).
bond(m505,a9,a10,1).
bond(m505,a10,a11,2).
bond(m505,a10,a12,1).
bond(m505,a12,a13,1).
bond(m505,a12,a27,1).
bond(m505,a13,a28,1).
bond(m505,a13,a29,1).
bond(m505,a13,a30,1).
bond(m505,a14,a15,ar).
bond(m505,a14,a31,1).
bond(m505,a15,a32,1).
atm(m506,a1,n,nar,2.100,2.428,0.000,-0.099).
atm(m506,a2,c,car,2.800,1.211,0.000,-0.006).
atm(m506,a3,c,c3,4.206,1.211,0.000,-0.084).
atm(m506,a4,c,c3,4.906,0.000,0.000,-0.100).
atm(m506,a5,n,n3,6.306,0.000,0.000,-0.030).
atm(m506,a6,c,car,2.100,0.000,0.000,-0.177).
atm(m506,a7,c,car,0.700,0.000,0.000,-0.048).
atm(m506,a8,c,car,0.000,1.211,0.000,-0.172).
atm(m506,a9,c,car,0.700,2.428,0.000,-0.039).
atm(m506,a10,h,h,4.521,1.756,-0.890,0.089).
atm(m506,a11,h,h,4.521,1.756,0.890,0.073).
atm(m506,a12,h,h,4.592,-0.545,0.890,0.017).
atm(m506,a13,h,h,4.592,-0.545,-0.890,0.060).
atm(m506,a14,h,h,6.646,0.833,0.481,0.024).
atm(m506,a15,h,h,6.646,-0.833,0.481,0.031).
atm(m506,a16,h,h,2.645,-0.944,0.000,0.123).
atm(m506,a17,h,h,0.155,-0.944,0.000,0.104).
atm(m506,a18,h,h,-1.090,1.210,0.000,0.113).
atm(m506,a19,h,h,0.154,3.372,0.000,0.121).
bond(m506,a1,a2,ar).
bond(m506,a1,a9,ar).
bond(m506,a2,a3,1).
bond(m506,a2,a6,ar).
bond(m506,a3,a4,1).
bond(m506,a3,a10,1).
bond(m506,a3,a11,1).
bond(m506,a4,a5,1).
bond(m506,a4,a12,1).
bond(m506,a4,a13,1).
bond(m506,a5,a14,1).
bond(m506,a5,a15,1).
bond(m506,a6,a7,ar).
bond(m506,a6,a16,1).
bond(m506,a7,a8,ar).
bond(m506,a7,a17,1).
bond(m506,a8,a9,ar).
bond(m506,a8,a18,1).
bond(m506,a9,a19,1).
atm(m507,a1,c,car,1.214,0.000,0.000,-0.094).
atm(m507,a2,c,car,0.007,0.550,0.419,-0.102).
atm(m507,a3,c,car,-0.002,1.689,1.217,-0.101).
atm(m507,a4,c,car,1.201,2.278,1.594,-0.098).
atm(m507,a5,c,car,2.408,1.728,1.179,-0.105).
atm(m507,a6,c,car,2.424,0.584,0.379,-0.108).
atm(m507,a7,c,c3,3.716,-0.054,-0.045,-0.028).
atm(m507,a8,n,n3,4.650,0.781,-0.845,-0.079).
atm(m507,a9,c,c3,5.457,1.733,-0.029,-0.082).
atm(m507,a10,c,c3,6.481,2.458,-0.900,-0.084).
atm(m507,a11,n,n3,5.813,3.118,-2.049,-0.061).
atm(m507,a12,c,c3,5.035,2.159,-2.872,-0.085).
atm(m507,a13,c,c3,3.998,1.441,-2.011,-0.075).
atm(m507,a14,h,h,1.213,-0.898,-0.629,0.106).
atm(m507,a15,h,h,-0.937,0.084,0.119,0.103).
atm(m507,a16,h,h,-0.952,2.121,1.546,0.103).
atm(m507,a17,h,h,1.198,3.177,2.220,0.104).
atm(m507,a18,h,h,3.358,2.202,1.469,0.115).
atm(m507,a19,h,h,4.256,-0.410,0.856,0.064).
atm(m507,a20,h,h,3.515,-0.951,-0.666,0.062).
atm(m507,a21,h,h,5.982,1.148,0.752,0.054).
atm(m507,a22,h,h,4.805,2.460,0.512,0.051).
atm(m507,a23,h,h,7.276,1.753,-1.227,0.039).
atm(m507,a24,h,h,6.984,3.247,-0.308,0.053).
atm(m507,a25,h,h,6.498,3.567,-2.619,0.047).
atm(m507,a26,h,h,5.689,1.422,-3.387,0.039).
atm(m507,a27,h,h,4.525,2.737,-3.668,0.054).
atm(m507,a28,h,h,3.202,2.144,-1.683,0.053).
atm(m507,a29,h,h,3.497,0.651,-2.605,0.055).
bond(m507,a1,a2,ar).
bond(m507,a1,a6,ar).
bond(m507,a1,a14,1).
bond(m507,a2,a3,ar).
bond(m507,a2,a15,1).
bond(m507,a3,a4,ar).
bond(m507,a3,a16,1).
bond(m507,a4,a5,ar).
bond(m507,a4,a17,1).
bond(m507,a5,a6,ar).
bond(m507,a5,a18,1).
bond(m507,a6,a7,1).
bond(m507,a7,a8,1).
bond(m507,a7,a19,1).
bond(m507,a7,a20,1).
bond(m507,a8,a9,1).
bond(m507,a8,a13,1).
bond(m507,a9,a10,1).
bond(m507,a9,a21,1).
bond(m507,a9,a22,1).
bond(m507,a10,a11,1).
bond(m507,a10,a23,1).
bond(m507,a10,a24,1).
bond(m507,a11,a12,1).
bond(m507,a11,a25,1).
bond(m507,a12,a13,1).
bond(m507,a12,a26,1).
bond(m507,a12,a27,1).
bond(m507,a13,a28,1).
bond(m507,a13,a29,1).
atm(m508,a1,n,nar,6.054,2.798,0.000,-0.073).
atm(m508,a2,c,car,7.224,2.124,0.000,-0.068).
atm(m508,a3,c,car,7.254,0.727,0.001,-0.143).
atm(m508,a4,c,car,6.056,0.026,0.001,-0.075).
atm(m508,a5,c,car,4.883,2.120,0.000,-0.067).
atm(m508,a6,c,car,4.841,0.722,0.001,-0.119).
atm(m508,a7,c,c3,3.575,-0.069,0.001,-0.041).
atm(m508,a8,c,c3,2.296,0.750,0.002,-0.144).
atm(m508,a9,c,c3,1.078,-0.175,0.001,0.066).
atm(m508,a10,o,o3,-0.166,0.479,0.003,-0.317).
atm(m508,a11,h,h,8.132,2.737,0.000,0.119).
atm(m508,a12,h,h,8.212,0.197,0.001,0.114).
atm(m508,a13,h,h,6.058,-1.070,0.002,0.109).
atm(m508,a14,h,h,3.984,2.748,0.000,0.122).
atm(m508,a15,h,h,3.584,-0.739,-0.884,0.062).
atm(m508,a16,h,h,3.585,-0.740,0.885,0.062).
atm(m508,a17,h,h,2.268,1.417,0.887,0.061).
atm(m508,a18,h,h,2.268,1.418,-0.883,0.061).
atm(m508,a19,h,h,1.072,-0.828,-0.891,0.040).
atm(m508,a20,h,h,1.072,-0.830,0.892,0.040).
atm(m508,a21,h,h,-0.017,1.415,0.002,0.190).
bond(m508,a1,a2,ar).
bond(m508,a1,a5,ar).
bond(m508,a2,a3,ar).
bond(m508,a2,a11,1).
bond(m508,a3,a4,ar).
bond(m508,a3,a12,1).
bond(m508,a4,a6,ar).
bond(m508,a4,a13,1).
bond(m508,a5,a6,ar).
bond(m508,a5,a14,1).
bond(m508,a6,a7,1).
bond(m508,a7,a8,1).
bond(m508,a7,a15,1).
bond(m508,a7,a16,1).
bond(m508,a8,a9,1).
bond(m508,a8,a17,1).
bond(m508,a8,a18,1).
bond(m508,a9,a10,1).
bond(m508,a9,a19,1).
bond(m508,a9,a20,1).
bond(m508,a10,a21,1).
atm(m509,a1,c,c3,0.000,0.000,0.000,-0.111).
atm(m509,a2,c,c3,1.293,0.794,0.000,-0.097).
atm(m509,a3,c,c3,2.520,-0.103,-0.038,-0.102).
atm(m509,a4,c,c3,3.802,0.716,-0.031,-0.103).
atm(m509,a5,c,c3,5.031,-0.177,-0.066,-0.102).
atm(m509,a6,c,c3,6.310,0.646,-0.051,-0.102).
atm(m509,a7,c,c3,7.542,-0.244,-0.083,-0.102).
atm(m509,a8,c,c3,8.818,0.583,-0.062,-0.102).
atm(m509,a9,c,c3,10.052,-0.304,-0.090,-0.102).
atm(m509,a10,c,c3,11.327,0.525,-0.066,-0.102).
atm(m509,a11,c,c3,12.563,-0.360,-0.091,-0.101).
atm(m509,a12,c,c3,13.836,0.472,-0.064,-0.104).
atm(m509,a13,c,c3,15.068,-0.425,-0.085,-0.103).
atm(m509,a14,n,n3,16.306,0.383,-0.019,-0.036).
atm(m509,a15,h,h,0.173,-1.084,0.046,0.041).
atm(m509,a16,h,h,-0.631,0.258,0.860,0.036).
atm(m509,a17,h,h,-0.596,0.190,-0.902,0.036).
atm(m509,a18,h,h,1.316,1.489,-0.863,0.048).
atm(m509,a19,h,h,1.340,1.444,0.897,0.047).
atm(m509,a20,h,h,2.512,-0.795,0.828,0.051).
atm(m509,a21,h,h,2.490,-0.750,-0.937,0.051).
atm(m509,a22,h,h,3.813,1.408,-0.897,0.051).
atm(m509,a23,h,h,3.831,1.365,0.868,0.051).
atm(m509,a24,h,h,5.020,-0.872,0.798,0.051).
atm(m509,a25,h,h,5.006,-0.822,-0.967,0.051).
atm(m509,a26,h,h,6.323,1.340,-0.915,0.051).
atm(m509,a27,h,h,6.332,1.292,0.850,0.051).
atm(m509,a28,h,h,7.530,-0.940,0.780,0.051).
atm(m509,a29,h,h,7.522,-0.887,-0.985,0.051).
atm(m509,a30,h,h,8.833,1.278,-0.926,0.051).
atm(m509,a31,h,h,8.836,1.228,0.839,0.052).
atm(m509,a32,h,h,10.039,-1.000,0.772,0.051).
atm(m509,a33,h,h,10.036,-0.948,-0.993,0.050).
atm(m509,a34,h,h,11.342,1.221,-0.929,0.051).
atm(m509,a35,h,h,11.342,1.170,0.836,0.053).
atm(m509,a36,h,h,12.548,-1.056,0.772,0.052).
atm(m509,a37,h,h,12.548,-1.004,-0.994,0.049).
atm(m509,a38,h,h,13.847,1.166,-0.930,0.049).
atm(m509,a39,h,h,13.845,1.119,0.836,0.064).
atm(m509,a40,h,h,15.068,-1.096,0.798,0.055).
atm(m509,a41,h,h,15.036,-1.089,-0.977,0.027).
atm(m509,a42,h,h,17.098,-0.223,-0.059,0.024).
atm(m509,a43,h,h,16.339,1.015,-0.791,0.022).
bond(m509,a1,a2,1).
bond(m509,a1,a15,1).
bond(m509,a1,a16,1).
bond(m509,a1,a17,1).
bond(m509,a2,a3,1).
bond(m509,a2,a18,1).
bond(m509,a2,a19,1).
bond(m509,a3,a4,1).
bond(m509,a3,a20,1).
bond(m509,a3,a21,1).
bond(m509,a4,a5,1).
bond(m509,a4,a22,1).
bond(m509,a4,a23,1).
bond(m509,a5,a6,1).
bond(m509,a5,a24,1).
bond(m509,a5,a25,1).
bond(m509,a6,a7,1).
bond(m509,a6,a26,1).
bond(m509,a6,a27,1).
bond(m509,a7,a8,1).
bond(m509,a7,a28,1).
bond(m509,a7,a29,1).
bond(m509,a8,a9,1).
bond(m509,a8,a30,1).
bond(m509,a8,a31,1).
bond(m509,a9,a10,1).
bond(m509,a9,a32,1).
bond(m509,a9,a33,1).
bond(m509,a10,a11,1).
bond(m509,a10,a34,1).
bond(m509,a10,a35,1).
bond(m509,a11,a12,1).
bond(m509,a11,a36,1).
bond(m509,a11,a37,1).
bond(m509,a12,a13,1).
bond(m509,a12,a38,1).
bond(m509,a12,a39,1).
bond(m509,a13,a14,1).
bond(m509,a13,a40,1).
bond(m509,a13,a41,1).
bond(m509,a14,a42,1).
bond(m509,a14,a43,1).
atm(m50,a1,c,c3,0.000,0.000,0.000,-0.110).
atm(m50,a2,c,c3,1.314,0.759,0.000,-0.093).
atm(m50,a3,c,c3,2.513,-0.175,0.001,-0.118).
atm(m50,a4,c,c3,3.816,0.621,0.001,0.074).
atm(m50,a5,o,o3,4.880,-0.303,0.003,-0.311).
atm(m50,a6,h,h,0.144,-1.089,0.000,0.044).
atm(m50,a7,h,h,-0.608,0.240,0.882,0.036).
atm(m50,a8,h,h,-0.608,0.240,-0.882,0.036).
atm(m50,a9,h,h,1.368,1.430,-0.881,0.046).
atm(m50,a10,h,h,1.367,1.431,0.880,0.046).
atm(m50,a11,h,h,2.475,-0.845,0.884,0.063).
atm(m50,a12,h,h,2.476,-0.846,-0.880,0.062).
atm(m50,a13,h,h,3.878,1.275,-0.892,0.020).
atm(m50,a14,h,h,3.877,1.278,0.892,0.020).
atm(m50,a15,h,h,5.679,0.207,0.002,0.184).
bond(m50,a1,a2,1).
bond(m50,a1,a6,1).
bond(m50,a1,a7,1).
bond(m50,a1,a8,1).
bond(m50,a2,a3,1).
bond(m50,a2,a9,1).
bond(m50,a2,a10,1).
bond(m50,a3,a4,1).
bond(m50,a3,a11,1).
bond(m50,a3,a12,1).
bond(m50,a4,a5,1).
bond(m50,a4,a13,1).
bond(m50,a4,a14,1).
bond(m50,a5,a15,1).
atm(m510,a1,c,car,7.272,2.800,0.000,-0.039).
atm(m510,a2,c,car,8.655,2.909,-0.010,-0.144).
atm(m510,a3,c,car,9.440,1.783,0.227,-0.053).
atm(m510,a4,c,car,8.848,0.554,0.472,-0.158).
atm(m510,a5,c,car,7.447,0.433,0.484,-0.032).
atm(m510,a6,n,npl3,6.864,-0.860,0.626,0.067).
atm(m510,a7,c,car,6.657,1.571,0.246,-0.200).
atm(m510,a8,c,c2,5.163,1.533,0.287,0.390).
atm(m510,a9,o,o2,4.561,1.319,1.323,-0.316).
atm(m510,a10,c,car,4.452,1.796,-0.998,-0.167).
atm(m510,a11,c,car,5.026,1.402,-2.209,-0.043).
atm(m510,a12,c,car,4.357,1.628,-3.405,-0.119).
atm(m510,a13,c,car,3.113,2.256,-3.386,-0.103).
atm(m510,a14,cl,cl,2.303,2.536,-4.835,0.074).
atm(m510,a15,c,car,2.532,2.654,-2.185,-0.121).
atm(m510,a16,c,car,3.201,2.419,-0.990,-0.034).
atm(m510,a17,h,h,6.652,3.685,-0.185,0.106).
atm(m510,a18,h,h,9.128,3.878,-0.200,0.109).
atm(m510,a19,h,h,10.532,1.869,0.220,0.102).
atm(m510,a20,h,h,9.482,-0.322,0.658,0.113).
atm(m510,a21,h,h,7.452,-1.474,1.145,0.037).
atm(m510,a22,h,h,5.947,-0.824,1.013,0.047).
atm(m510,a23,h,h,6.009,0.914,-2.211,0.121).
atm(m510,a24,h,h,4.799,1.317,-4.358,0.121).
atm(m510,a25,h,h,1.552,3.145,-2.187,0.121).
atm(m510,a26,h,h,2.745,2.717,-0.039,0.120).
bond(m510,a1,a2,ar).
bond(m510,a1,a7,ar).
bond(m510,a1,a17,1).
bond(m510,a2,a3,ar).
bond(m510,a2,a18,1).
bond(m510,a3,a4,ar).
bond(m510,a3,a19,1).
bond(m510,a4,a5,ar).
bond(m510,a4,a20,1).
bond(m510,a5,a6,1).
bond(m510,a5,a7,ar).
bond(m510,a6,a21,1).
bond(m510,a6,a22,1).
bond(m510,a7,a8,1).
bond(m510,a8,a9,2).
bond(m510,a8,a10,1).
bond(m510,a10,a11,ar).
bond(m510,a10,a16,ar).
bond(m510,a11,a12,ar).
bond(m510,a11,a23,1).
bond(m510,a12,a13,ar).
bond(m510,a12,a24,1).
bond(m510,a13,a14,1).
bond(m510,a13,a15,ar).
bond(m510,a15,a16,ar).
bond(m510,a15,a25,1).
bond(m510,a16,a26,1).
atm(m511,a1,c,car,2.797,3.635,0.000,-0.105).
atm(m511,a2,cl,cl,1.953,5.085,0.127,0.102).
atm(m511,a3,c,car,4.192,3.665,0.019,-0.095).
atm(m511,a4,c,car,4.911,2.482,-0.080,-0.071).
atm(m511,a5,c,car,4.229,1.271,-0.200,-0.138).
atm(m511,a6,cl,cl,5.100,-0.163,-0.322,0.090).
atm(m511,a7,c,car,2.837,1.232,-0.226,-0.052).
atm(m511,a8,c,car,2.117,2.421,-0.120,-0.126).
atm(m511,a9,c,c2,0.629,2.366,-0.192,0.401).
atm(m511,a10,o,o2,-0.050,2.226,-1.185,-0.315).
atm(m511,a11,o,o3,-0.177,2.441,0.909,-0.229).
atm(m511,a12,c,c3,0.418,2.631,2.171,0.043).
atm(m511,a13,h,h,4.712,4.626,0.109,0.124).
atm(m511,a14,h,h,6.007,2.493,-0.067,0.122).
atm(m511,a15,h,h,2.317,0.272,-0.336,0.130).
atm(m511,a16,h,h,0.974,3.576,2.213,0.031).
atm(m511,a17,h,h,-0.440,2.663,2.847,0.058).
atm(m511,a18,h,h,1.081,1.800,2.438,0.029).
bond(m511,a1,a2,1).
bond(m511,a1,a3,ar).
bond(m511,a1,a8,ar).
bond(m511,a3,a4,ar).
bond(m511,a3,a13,1).
bond(m511,a4,a5,ar).
bond(m511,a4,a14,1).
bond(m511,a5,a6,1).
bond(m511,a5,a7,ar).
bond(m511,a7,a8,ar).
bond(m511,a7,a15,1).
bond(m511,a8,a9,1).
bond(m511,a9,a10,2).
bond(m511,a9,a11,1).
bond(m511,a11,a12,1).
bond(m511,a12,a16,1).
bond(m511,a12,a17,1).
bond(m511,a12,a18,1).
atm(m512,a1,c,c3,2.242,0.000,0.000,-0.147).
atm(m512,a2,c,c3,3.599,0.294,0.620,0.138).
atm(m512,a3,o,o3,3.698,1.639,1.020,-0.560).
atm(m512,a4,p,p3,4.547,2.875,0.280,1.869).
atm(m512,a5,o,o3,4.573,2.305,-1.318,-0.609).
atm(m512,a6,c,c3,5.106,3.113,-2.340,0.117).
atm(m512,a7,c,c3,4.754,2.491,-3.680,-0.122).
atm(m512,a8,s,s2,3.991,4.659,0.721,-0.628).
atm(m512,a9,o,o3,6.216,2.639,0.674,-0.550).
atm(m512,a10,c,car,7.102,1.655,0.459,0.225).
atm(m512,a11,n,nar,6.858,0.454,1.049,-0.126).
atm(m512,a12,c,car,7.798,-0.520,0.965,-0.074).
atm(m512,a13,cl,cl,7.462,-1.993,1.708,0.128).
atm(m512,a14,c,car,9.008,-0.324,0.289,-0.220).
atm(m512,a15,cl,cl,10.142,-1.555,0.219,0.117).
atm(m512,a16,c,car,9.259,0.903,-0.326,-0.031).
atm(m512,a17,c,car,8.301,1.907,-0.251,-0.225).
atm(m512,a18,cl,cl,8.584,3.388,-0.985,0.118).
atm(m512,a19,h,h,2.139,-1.078,-0.177,0.047).
atm(m512,a20,h,h,2.104,0.507,-0.964,0.046).
atm(m512,a21,h,h,1.414,0.307,0.653,0.053).
atm(m512,a22,h,h,3.734,-0.260,1.568,0.054).
atm(m512,a23,h,h,4.421,0.010,-0.062,0.037).
atm(m512,a24,h,h,4.693,4.138,-2.253,0.038).
atm(m512,a25,h,h,6.206,3.174,-2.203,0.030).
atm(m512,a26,h,h,3.669,2.425,-3.831,0.049).
atm(m512,a27,h,h,5.168,3.096,-4.496,0.047).
atm(m512,a28,h,h,5.158,1.475,-3.780,0.048).
atm(m512,a29,h,h,10.201,1.072,-0.861,0.131).
bond(m512,a1,a2,1).
bond(m512,a1,a19,1).
bond(m512,a1,a20,1).
bond(m512,a1,a21,1).
bond(m512,a2,a3,1).
bond(m512,a2,a22,1).
bond(m512,a2,a23,1).
bond(m512,a3,a4,1).
bond(m512,a4,a5,1).
bond(m512,a4,a8,2).
bond(m512,a4,a9,1).
bond(m512,a5,a6,1).
bond(m512,a6,a7,1).
bond(m512,a6,a24,1).
bond(m512,a6,a25,1).
bond(m512,a7,a26,1).
bond(m512,a7,a27,1).
bond(m512,a7,a28,1).
bond(m512,a9,a10,1).
bond(m512,a10,a11,ar).
bond(m512,a10,a17,ar).
bond(m512,a11,a12,ar).
bond(m512,a12,a13,1).
bond(m512,a12,a14,ar).
bond(m512,a14,a15,1).
bond(m512,a14,a16,ar).
bond(m512,a16,a17,ar).
bond(m512,a16,a29,1).
bond(m512,a17,a18,1).
atm(m513,a1,c,car,2.094,3.629,0.000,-0.023).
atm(m513,a2,o,o3,1.388,4.825,0.018,-0.201).
atm(m513,a3,c,c3,2.015,5.881,0.709,0.054).
atm(m513,a4,c,car,3.486,3.561,-0.068,-0.078).
atm(m513,a5,c,car,4.137,2.327,-0.163,-0.209).
atm(m513,a6,c,c2,5.619,2.310,-0.229,0.330).
atm(m513,a7,o,o2,6.277,1.297,-0.305,-0.313).
atm(m513,a8,c,car,3.393,1.144,-0.197,0.004).
atm(m513,a9,c,car,2.020,1.231,-0.130,-0.179).
atm(m513,a10,br,br,0.976,-0.309,-0.170,0.051).
atm(m513,a11,c,car,1.333,2.437,-0.030,0.133).
atm(m513,a12,o,o3,-0.020,2.334,0.020,-0.194).
atm(m513,a13,h,h,3.065,6.011,0.406,0.032).
atm(m513,a14,h,h,1.421,6.749,0.415,0.053).
atm(m513,a15,h,h,1.964,5.728,1.792,0.029).
atm(m513,a16,h,h,4.062,4.501,-0.036,0.119).
atm(m513,a17,h,h,6.120,3.293,-0.207,0.044).
atm(m513,a18,h,h,3.882,0.165,-0.275,0.138).
atm(m513,a19,h,h,-0.389,3.203,0.122,0.210).
bond(m513,a1,a2,1).
bond(m513,a1,a4,ar).
bond(m513,a1,a11,ar).
bond(m513,a2,a3,1).
bond(m513,a3,a13,1).
bond(m513,a3,a14,1).
bond(m513,a3,a15,1).
bond(m513,a4,a5,ar).
bond(m513,a4,a16,1).
bond(m513,a5,a6,1).
bond(m513,a5,a8,ar).
bond(m513,a6,a7,2).
bond(m513,a6,a17,1).
bond(m513,a8,a9,ar).
bond(m513,a8,a18,1).
bond(m513,a9,a10,1).
bond(m513,a9,a11,ar).
bond(m513,a11,a12,1).
bond(m513,a12,a19,1).
atm(m514,a1,c,c2,0.000,0.698,0.000,-0.062).
atm(m514,a2,c,c2,1.146,0.023,0.010,-0.188).
atm(m514,a3,c,c2,2.459,0.716,-0.006,0.410).
atm(m514,a4,o,o2,2.658,1.916,-0.032,-0.384).
atm(m514,a5,o,o3,3.493,-0.178,0.011,-0.266).
atm(m514,a6,c,c3,4.865,0.215,0.000,0.103).
atm(m514,a7,c,c3,5.303,0.997,1.244,-0.137).
atm(m514,a8,c,c3,6.815,1.164,1.232,-0.090).
atm(m514,a9,c,c3,7.277,1.861,-0.039,-0.101).
atm(m514,a10,c,c3,6.811,1.110,-1.277,-0.090).
atm(m514,a11,c,c3,5.299,0.942,-1.278,-0.137).
atm(m514,a12,h,h,-0.055,1.784,-0.021,0.095).
atm(m514,a13,h,h,-0.965,0.199,0.012,0.078).
atm(m514,a14,h,h,1.165,-1.074,0.032,0.121).
atm(m514,a15,h,h,5.311,-0.810,0.022,0.067).
atm(m514,a16,h,h,4.983,0.469,2.163,0.058).
atm(m514,a17,h,h,4.815,1.991,1.276,0.080).
atm(m514,a18,h,h,7.308,0.175,1.321,0.048).
atm(m514,a19,h,h,7.135,1.742,2.119,0.051).
atm(m514,a20,h,h,8.380,1.950,-0.043,0.049).
atm(m514,a21,h,h,6.889,2.899,-0.061,0.056).
atm(m514,a22,h,h,7.303,0.118,-1.326,0.048).
atm(m514,a23,h,h,7.128,1.649,-2.190,0.051).
atm(m514,a24,h,h,4.810,1.934,-1.351,0.080).
atm(m514,a25,h,h,4.976,0.375,-2.172,0.058).
bond(m514,a1,a2,2).
bond(m514,a1,a12,1).
bond(m514,a1,a13,1).
bond(m514,a2,a3,1).
bond(m514,a2,a14,1).
bond(m514,a3,a4,2).
bond(m514,a3,a5,1).
bond(m514,a5,a6,1).
bond(m514,a6,a7,1).
bond(m514,a6,a11,1).
bond(m514,a6,a15,1).
bond(m514,a7,a8,1).
bond(m514,a7,a16,1).
bond(m514,a7,a17,1).
bond(m514,a8,a9,1).
bond(m514,a8,a18,1).
bond(m514,a8,a19,1).
bond(m514,a9,a10,1).
bond(m514,a9,a20,1).
bond(m514,a9,a21,1).
bond(m514,a10,a11,1).
bond(m514,a10,a22,1).
bond(m514,a10,a23,1).
bond(m514,a11,a24,1).
bond(m514,a11,a25,1).
atm(m515,a1,s,so,4.852,2.805,0.000,1.057).
atm(m515,a2,c,car,6.403,1.899,-0.121,-0.382).
atm(m515,a3,c,car,7.456,2.339,-0.921,-0.012).
atm(m515,a4,c,car,8.676,1.672,-0.909,-0.122).
atm(m515,a5,c,car,8.837,0.554,-0.096,-0.096).
atm(m515,a6,cl,cl,10.309,-0.260,-0.076,0.081).
atm(m515,a7,c,car,7.791,0.100,0.707,-0.126).
atm(m515,a8,c,car,6.579,0.776,0.693,-0.026).
atm(m515,a9,o,o2,4.999,4.018,-0.954,-0.678).
atm(m515,a10,c,car,3.697,1.687,-0.823,-0.359).
atm(m515,a11,c,car,4.071,0.591,-1.596,-0.034).
atm(m515,a12,c,car,3.108,-0.247,-2.147,-0.117).
atm(m515,a13,c,car,1.760,0.025,-1.931,-0.099).
atm(m515,a14,cl,cl,0.588,-0.989,-2.586,0.078).
atm(m515,a15,c,car,1.370,1.130,-1.177,-0.119).
atm(m515,a16,c,car,2.341,1.957,-0.627,-0.016).
atm(m515,a17,h,h,7.321,3.223,-1.563,0.138).
atm(m515,a18,h,h,9.506,2.020,-1.534,0.124).
atm(m515,a19,h,h,7.931,-0.782,1.342,0.122).
atm(m515,a20,h,h,5.754,0.426,1.326,0.111).
atm(m515,a21,h,h,5.135,0.384,-1.770,0.116).
atm(m515,a22,h,h,3.403,-1.113,-2.751,0.121).
atm(m515,a23,h,h,0.305,1.339,-1.023,0.122).
atm(m515,a24,h,h,2.037,2.833,-0.039,0.115).
bond(m515,a1,a2,1).
bond(m515,a1,a9,2).
bond(m515,a1,a10,1).
bond(m515,a2,a3,ar).
bond(m515,a2,a8,ar).
bond(m515,a3,a4,ar).
bond(m515,a3,a17,1).
bond(m515,a4,a5,ar).
bond(m515,a4,a18,1).
bond(m515,a5,a6,1).
bond(m515,a5,a7,ar).
bond(m515,a7,a8,ar).
bond(m515,a7,a19,1).
bond(m515,a8,a20,1).
bond(m515,a10,a11,ar).
bond(m515,a10,a16,ar).
bond(m515,a11,a12,ar).
bond(m515,a11,a21,1).
bond(m515,a12,a13,ar).
bond(m515,a12,a22,1).
bond(m515,a13,a14,1).
bond(m515,a13,a15,ar).
bond(m515,a15,a16,ar).
bond(m515,a15,a23,1).
bond(m515,a16,a24,1).
atm(m516,a1,c,c3,6.287,6.053,0.000,-0.151).
atm(m516,a2,c,c3,4.776,6.089,0.101,0.087).
atm(m516,a3,o,o3,4.168,4.898,-0.396,-0.239).
atm(m516,a4,c,c2,4.090,3.818,0.422,0.409).
atm(m516,a5,o,o2,4.553,3.752,1.541,-0.366).
atm(m516,a6,n,nam,3.392,2.737,-0.263,-0.065).
atm(m516,a7,c,c2,3.678,1.365,0.138,0.410).
atm(m516,a8,o,o2,2.849,0.525,0.417,-0.368).
atm(m516,a9,o,o3,5.015,1.151,0.106,-0.240).
atm(m516,a10,c,c3,5.484,-0.135,0.535,0.086).
atm(m516,a11,c,c3,6.997,-0.076,0.467,-0.127).
atm(m516,a12,c,c2,2.098,3.022,-0.870,0.411).
atm(m516,a13,o,o2,1.340,3.907,-0.530,-0.368).
atm(m516,a14,o,o3,1.886,2.179,-1.908,-0.240).
atm(m516,a15,c,c3,0.626,2.276,-2.586,0.086).
atm(m516,a16,c,c3,0.629,1.186,-3.640,-0.127).
atm(m516,a17,h,h,6.704,7.034,0.262,0.052).
atm(m516,a18,h,h,6.728,5.314,0.683,0.060).
atm(m516,a19,h,h,6.629,5.808,-1.014,0.052).
atm(m516,a20,h,h,4.438,6.312,1.130,0.059).
atm(m516,a21,h,h,4.330,6.833,-0.583,0.060).
atm(m516,a22,h,h,5.127,-0.339,1.562,0.052).
atm(m516,a23,h,h,5.071,-0.915,-0.131,0.049).
atm(m516,a24,h,h,7.411,0.702,1.122,0.055).
atm(m516,a25,h,h,7.421,-1.038,0.785,0.051).
atm(m516,a26,h,h,7.358,0.126,-0.550,0.051).
atm(m516,a27,h,h,-0.199,2.143,-1.861,0.052).
atm(m516,a28,h,h,0.529,3.282,-3.034,0.049).
atm(m516,a29,h,h,0.731,0.185,-3.200,0.056).
atm(m516,a30,h,h,-0.314,1.209,-4.200,0.051).
atm(m516,a31,h,h,1.447,1.311,-4.362,0.051).
bond(m516,a1,a2,1).
bond(m516,a1,a17,1).
bond(m516,a1,a18,1).
bond(m516,a1,a19,1).
bond(m516,a2,a3,1).
bond(m516,a2,a20,1).
bond(m516,a2,a21,1).
bond(m516,a3,a4,1).
bond(m516,a4,a5,2).
bond(m516,a4,a6,1).
bond(m516,a6,a7,1).
bond(m516,a6,a12,1).
bond(m516,a7,a8,2).
bond(m516,a7,a9,1).
bond(m516,a9,a10,1).
bond(m516,a10,a11,1).
bond(m516,a10,a22,1).
bond(m516,a10,a23,1).
bond(m516,a11,a24,1).
bond(m516,a11,a25,1).
bond(m516,a11,a26,1).
bond(m516,a12,a13,2).
bond(m516,a12,a14,1).
bond(m516,a14,a15,1).
bond(m516,a15,a16,1).
bond(m516,a15,a27,1).
bond(m516,a15,a28,1).
bond(m516,a16,a29,1).
bond(m516,a16,a30,1).
bond(m516,a16,a31,1).
atm(m517,a1,o,o3,4.853,2.800,0.000,-0.209).
atm(m517,a2,c,car,3.642,2.153,0.000,0.024).
atm(m517,a3,c,car,3.489,0.748,-0.001,0.024).
atm(m517,a4,o,o3,4.532,-0.144,-0.002,-0.209).
atm(m517,a5,c,car,2.211,0.181,-0.001,-0.095).
atm(m517,a6,c,car,1.098,1.017,-0.001,-0.137).
atm(m517,a7,cl,cl,-0.443,0.347,-0.001,0.097).
atm(m517,a8,c,car,1.249,2.405,0.000,-0.137).
atm(m517,a9,cl,cl,-0.111,3.391,0.001,0.097).
atm(m517,a10,c,car,2.516,2.981,0.000,-0.095).
atm(m517,a11,h,h,5.540,2.143,0.000,0.185).
atm(m517,a12,h,h,5.344,0.350,-0.001,0.185).
atm(m517,a13,h,h,2.082,-0.908,-0.002,0.136).
atm(m517,a14,h,h,2.625,4.073,0.001,0.136).
bond(m517,a1,a2,1).
bond(m517,a1,a11,1).
bond(m517,a2,a3,ar).
bond(m517,a2,a10,ar).
bond(m517,a3,a4,1).
bond(m517,a3,a5,ar).
bond(m517,a4,a12,1).
bond(m517,a5,a6,ar).
bond(m517,a5,a13,1).
bond(m517,a6,a7,1).
bond(m517,a6,a8,ar).
bond(m517,a8,a9,1).
bond(m517,a8,a10,ar).
bond(m517,a10,a14,1).
atm(m518,a1,n,npl3,0.000,2.426,0.000,0.089).
atm(m518,a2,c,car,1.379,2.730,0.148,-0.043).
atm(m518,a3,c,car,1.875,3.997,-0.209,-0.188).
atm(m518,a4,cl,cl,0.829,5.223,-0.694,0.106).
atm(m518,a5,c,car,3.245,4.254,-0.162,-0.092).
atm(m518,a6,cl,cl,3.816,5.772,-0.595,0.102).
atm(m518,a7,c,car,4.144,3.270,0.239,-0.128).
atm(m518,a8,c,car,3.657,2.017,0.598,-0.092).
atm(m518,a9,cl,cl,4.728,0.821,1.087,0.102).
atm(m518,a10,c,car,2.290,1.741,0.557,-0.188).
atm(m518,a11,cl,cl,1.751,0.212,1.009,0.106).
atm(m518,a12,h,h,-0.575,3.235,0.083,0.045).
atm(m518,a13,h,h,-0.291,1.692,0.607,0.045).
atm(m518,a14,h,h,5.219,3.479,0.271,0.135).
bond(m518,a1,a2,1).
bond(m518,a1,a12,1).
bond(m518,a1,a13,1).
bond(m518,a2,a3,ar).
bond(m518,a2,a10,ar).
bond(m518,a3,a4,1).
bond(m518,a3,a5,ar).
bond(m518,a5,a6,1).
bond(m518,a5,a7,ar).
bond(m518,a7,a8,ar).
bond(m518,a7,a14,1).
bond(m518,a8,a9,1).
bond(m518,a8,a10,ar).
bond(m518,a10,a11,1).
atm(m519,a1,n,nar,4.853,2.106,0.000,-0.066).
atm(m519,a2,c,car,3.674,2.785,0.001,0.016).
atm(m519,a3,c,car,2.425,2.004,-0.002,-0.047).
atm(m519,a4,c,car,2.440,0.605,-0.005,-0.063).
atm(m519,a5,c,car,1.245,-0.107,-0.008,-0.111).
atm(m519,a6,c,car,0.027,0.563,-0.008,-0.091).
atm(m519,a7,c,car,0.003,1.954,-0.005,-0.107).
atm(m519,a8,c,car,1.193,2.670,-0.002,-0.096).
atm(m519,a9,c,car,3.661,4.188,0.004,-0.157).
atm(m519,a10,c,car,4.864,4.883,0.007,-0.056).
atm(m519,a11,c,car,6.061,4.178,0.006,-0.157).
atm(m519,a12,c,car,6.037,2.775,0.003,0.016).
atm(m519,a13,c,car,7.280,1.984,0.002,-0.047).
atm(m519,a14,c,car,8.517,2.639,0.006,-0.096).
atm(m519,a15,c,car,9.701,1.914,0.005,-0.107).
atm(m519,a16,c,car,9.666,0.523,0.000,-0.091).
atm(m519,a17,c,car,8.442,-0.136,-0.004,-0.111).
atm(m519,a18,c,car,7.253,0.585,-0.003,-0.063).
atm(m519,a19,h,h,3.393,0.061,-0.005,0.123).
atm(m519,a20,h,h,1.267,-1.202,-0.010,0.104).
atm(m519,a21,h,h,-0.911,-0.002,-0.010,0.103).
atm(m519,a22,h,h,-0.954,2.486,-0.004,0.103).
atm(m519,a23,h,h,1.176,3.770,0.000,0.108).
atm(m519,a24,h,h,2.698,4.719,0.005,0.123).
atm(m519,a25,h,h,4.869,5.977,0.010,0.107).
atm(m519,a26,h,h,7.029,4.701,0.009,0.123).
atm(m519,a27,h,h,8.543,3.740,0.010,0.108).
atm(m519,a28,h,h,10.662,2.438,0.009,0.103).
atm(m519,a29,h,h,10.599,-0.049,0.000,0.103).
atm(m519,a30,h,h,8.411,-1.231,-0.008,0.104).
atm(m519,a31,h,h,6.295,0.049,-0.007,0.123).
bond(m519,a1,a2,ar).
bond(m519,a1,a12,ar).
bond(m519,a2,a3,1).
bond(m519,a2,a9,ar).
bond(m519,a3,a4,ar).
bond(m519,a3,a8,ar).
bond(m519,a4,a5,ar).
bond(m519,a4,a19,1).
bond(m519,a5,a6,ar).
bond(m519,a5,a20,1).
bond(m519,a6,a7,ar).
bond(m519,a6,a21,1).
bond(m519,a7,a8,ar).
bond(m519,a7,a22,1).
bond(m519,a8,a23,1).
bond(m519,a9,a10,ar).
bond(m519,a9,a24,1).
bond(m519,a10,a11,ar).
bond(m519,a10,a25,1).
bond(m519,a11,a12,ar).
bond(m519,a11,a26,1).
bond(m519,a12,a13,1).
bond(m519,a13,a14,ar).
bond(m519,a13,a18,ar).
bond(m519,a14,a15,ar).
bond(m519,a14,a27,1).
bond(m519,a15,a16,ar).
bond(m519,a15,a28,1).
bond(m519,a16,a17,ar).
bond(m519,a16,a29,1).
bond(m519,a17,a18,ar).
bond(m519,a17,a30,1).
bond(m519,a18,a31,1).
atm(m51,a1,c,c3,0.000,0.000,0.000,-0.110).
atm(m51,a2,c,c3,1.315,0.758,0.000,-0.097).
atm(m51,a3,c,c3,2.515,-0.176,0.001,-0.098).
atm(m51,a4,c,c3,3.820,0.604,0.001,-0.119).
atm(m51,a5,c,c3,5.013,-0.349,0.002,0.075).
atm(m51,a6,o,o3,6.184,0.435,0.001,-0.311).
atm(m51,a7,h,h,0.143,-1.089,0.000,0.041).
atm(m51,a8,h,h,-0.608,0.240,0.882,0.036).
atm(m51,a9,h,h,-0.608,0.241,-0.882,0.036).
atm(m51,a10,h,h,1.370,1.429,-0.880,0.049).
atm(m51,a11,h,h,1.369,1.430,0.880,0.049).
atm(m51,a12,h,h,2.473,-0.845,0.884,0.049).
atm(m51,a13,h,h,2.473,-0.845,-0.882,0.049).
atm(m51,a14,h,h,3.865,1.273,-0.882,0.062).
atm(m51,a15,h,h,3.865,1.274,0.882,0.062).
atm(m51,a16,h,h,4.992,-1.006,0.895,0.020).
atm(m51,a17,h,h,4.992,-1.008,-0.889,0.020).
atm(m51,a18,h,h,6.913,-0.170,0.002,0.184).
bond(m51,a1,a2,1).
bond(m51,a1,a7,1).
bond(m51,a1,a8,1).
bond(m51,a1,a9,1).
bond(m51,a2,a3,1).
bond(m51,a2,a10,1).
bond(m51,a2,a11,1).
bond(m51,a3,a4,1).
bond(m51,a3,a12,1).
bond(m51,a3,a13,1).
bond(m51,a4,a5,1).
bond(m51,a4,a14,1).
bond(m51,a4,a15,1).
bond(m51,a5,a6,1).
bond(m51,a5,a16,1).
bond(m51,a5,a17,1).
bond(m51,a6,a18,1).
atm(m520,a1,cl,cl,1.216,4.202,0.000,0.199).
atm(m520,a2,c,car,2.656,3.368,0.000,-0.007).
atm(m520,a3,c,car,3.825,4.127,0.000,-0.184).
atm(m520,a4,c,car,5.082,3.526,0.000,-0.006).
atm(m520,a5,cl,cl,6.403,4.538,0.001,0.199).
atm(m520,a6,c,car,5.178,2.122,0.000,-0.447).
atm(m520,a7,n,n4,6.501,1.402,-0.001,1.316).
atm(m520,a8,o,oco2,7.531,2.040,0.001,-0.590).
atm(m520,a9,o,oco2,6.505,0.189,-0.002,-0.585).
atm(m520,a10,c,car,4.005,1.360,-0.001,0.100).
atm(m520,a11,c,car,2.743,1.964,-0.001,-0.447).
atm(m520,a12,n,n4,1.525,1.079,-0.001,1.316).
atm(m520,a13,o,oco2,0.420,1.579,-0.001,-0.590).
atm(m520,a14,o,oco2,1.676,-0.125,-0.002,-0.585).
atm(m520,a15,h,h,3.754,5.224,0.001,0.145).
atm(m520,a16,h,h,4.077,0.255,-0.001,0.166).
bond(m520,a1,a2,1).
bond(m520,a2,a3,ar).
bond(m520,a2,a11,ar).
bond(m520,a3,a4,ar).
bond(m520,a3,a15,1).
bond(m520,a4,a5,1).
bond(m520,a4,a6,ar).
bond(m520,a6,a7,1).
bond(m520,a6,a10,ar).
bond(m520,a7,a8,2).
bond(m520,a7,a9,1).
bond(m520,a10,a11,ar).
bond(m520,a10,a16,1).
bond(m520,a11,a12,1).
bond(m520,a12,a13,2).
bond(m520,a12,a14,1).
atm(m521,a1,c,car,3.638,0.699,0.000,-0.180).
atm(m521,a2,cl,cl,4.851,0.000,0.000,0.521).
atm(m521,a3,c,car,2.426,0.000,0.000,-0.283).
atm(m521,a4,c,car,1.213,0.699,0.000,-0.161).
atm(m521,a5,cl,cl,0.000,0.000,0.000,0.299).
atm(m521,a6,c,car,1.213,2.098,0.000,-0.326).
atm(m521,a7,cl,cl,0.000,2.808,0.000,0.239).
atm(m521,a8,c,car,2.426,2.808,0.000,0.010).
atm(m521,a9,c,car,3.638,2.098,0.000,-0.419).
atm(m521,a10,s,s3,4.851,2.808,0.000,0.042).
atm(m521,a11,s,s3,6.075,2.098,0.000,0.042).
atm(m521,a12,c,car,7.288,2.808,0.000,-0.419).
atm(m521,a13,c,car,7.288,4.207,0.000,-0.180).
atm(m521,a14,cl,cl,6.075,4.906,0.000,0.521).
atm(m521,a15,c,car,8.501,4.906,0.000,-0.283).
atm(m521,a16,c,car,9.714,4.207,0.000,-0.161).
atm(m521,a17,cl,cl,10.926,4.906,0.000,0.299).
atm(m521,a18,c,car,9.714,2.808,0.000,-0.327).
atm(m521,a19,cl,cl,10.926,2.098,0.000,0.239).
atm(m521,a20,c,car,8.501,2.098,0.000,0.010).
atm(m521,a21,h,h,2.426,-1.090,0.000,0.130).
atm(m521,a22,h,h,2.426,3.898,0.000,0.127).
atm(m521,a23,h,h,8.501,5.996,0.000,0.130).
atm(m521,a24,h,h,8.501,1.008,0.000,0.127).
bond(m521,a1,a2,1).
bond(m521,a1,a3,ar).
bond(m521,a1,a9,ar).
bond(m521,a3,a4,ar).
bond(m521,a3,a21,1).
bond(m521,a4,a5,1).
bond(m521,a4,a6,ar).
bond(m521,a6,a7,1).
bond(m521,a6,a8,ar).
bond(m521,a8,a9,ar).
bond(m521,a8,a22,1).
bond(m521,a9,a10,1).
bond(m521,a10,a11,1).
bond(m521,a11,a12,1).
bond(m521,a12,a13,ar).
bond(m521,a12,a20,ar).
bond(m521,a13,a14,1).
bond(m521,a13,a15,ar).
bond(m521,a15,a16,ar).
bond(m521,a15,a23,1).
bond(m521,a16,a17,1).
bond(m521,a16,a18,ar).
bond(m521,a18,a19,1).
bond(m521,a18,a20,ar).
bond(m521,a20,a24,1).
atm(m522,a1,c,car,2.373,4.862,0.809,-0.155).
atm(m522,a2,c,car,1.071,4.363,0.792,-0.052).
atm(m522,a3,c,c3,0.275,4.371,2.047,-0.069).
atm(m522,a4,c,car,0.527,3.865,-0.401,-0.100).
atm(m522,a5,c,c3,-0.856,3.324,-0.444,-0.061).
atm(m522,a6,c,car,1.295,3.882,-1.567,-0.075).
atm(m522,a7,c,car,2.592,4.376,-1.566,-0.148).
atm(m522,a8,c,car,3.138,4.860,-0.367,0.134).
atm(m522,a9,o,o3,4.368,5.457,-0.363,-0.557).
atm(m522,a10,p,p3,5.801,4.540,-0.211,2.159).
atm(m522,a11,o,o2,6.018,3.484,-1.167,-0.844).
atm(m522,a12,o,o3,5.811,4.179,1.454,-0.544).
atm(m522,a13,c,car,5.737,2.886,1.898,0.136).
atm(m522,a14,c,car,6.915,2.178,2.176,-0.140).
atm(m522,a15,c,car,6.842,0.909,2.749,-0.047).
atm(m522,a16,c,c3,8.098,0.167,3.032,-0.068).
atm(m522,a17,c,car,5.592,0.348,3.051,-0.098).
atm(m522,a18,c,c3,5.488,-1.005,3.657,-0.061).
atm(m522,a19,c,car,4.429,1.071,2.781,-0.072).
atm(m522,a20,c,car,4.486,2.334,2.211,-0.165).
atm(m522,a21,o,o3,6.956,5.783,-0.129,-0.524).
atm(m522,a22,c,car,7.125,6.668,-1.161,0.126).
atm(m522,a23,c,car,7.849,6.305,-2.303,-0.155).
atm(m522,a24,c,car,8.124,7.259,-3.285,-0.049).
atm(m522,a25,c,c3,8.879,6.833,-4.493,-0.074).
atm(m522,a26,c,car,7.685,8.579,-3.118,-0.095).
atm(m522,a27,c,c3,7.949,9.627,-4.140,-0.068).
atm(m522,a28,c,car,6.977,8.930,-1.965,-0.082).
atm(m522,a29,c,car,6.691,7.992,-0.985,-0.132).
atm(m522,a30,h,h,-0.635,4.977,1.930,0.049).
atm(m522,a31,h,h,-0.041,3.353,2.318,0.047).
atm(m522,a32,h,h,0.838,4.781,2.897,0.046).
atm(m522,a33,h,h,-1.586,4.085,-0.134,0.046).
atm(m522,a34,h,h,-0.964,2.468,0.237,0.045).
atm(m522,a35,h,h,-1.139,2.984,-1.449,0.044).
atm(m522,a36,h,h,0.868,3.500,-2.502,0.105).
atm(m522,a37,h,h,3.176,4.387,-2.493,0.120).
atm(m522,a38,h,h,7.893,2.621,1.953,0.117).
atm(m522,a39,h,h,8.119,-0.789,2.490,0.048).
atm(m522,a40,h,h,8.993,0.733,2.740,0.045).
atm(m522,a41,h,h,8.186,-0.061,4.104,0.048).
atm(m522,a42,h,h,6.018,-1.047,4.619,0.046).
atm(m522,a43,h,h,4.446,-1.300,3.841,0.043).
atm(m522,a44,h,h,5.936,-1.764,3.001,0.046).
atm(m522,a45,h,h,3.452,0.637,3.025,0.103).
atm(m522,a46,h,h,3.563,2.898,2.016,0.120).
atm(m522,a47,h,h,8.207,5.276,-2.434,0.124).
atm(m522,a48,h,h,9.661,6.104,-4.247,0.048).
atm(m522,a49,h,h,8.204,6.364,-5.222,0.049).
atm(m522,a50,h,h,9.362,7.689,-4.993,0.051).
atm(m522,a51,h,h,7.071,9.763,-4.787,0.047).
atm(m522,a52,h,h,8.175,10.596,-3.677,0.045).
atm(m522,a53,h,h,8.799,9.358,-4.789,0.050).
atm(m522,a54,h,h,6.643,9.966,-1.834,0.103).
atm(m522,a55,h,h,6.139,8.283,-0.085,0.119).
atm(m522,a56,h,h,2.792,5.269,1.739,0.124).
bond(m522,a1,a2,ar).
bond(m522,a1,a8,ar).
bond(m522,a1,a56,1).
bond(m522,a2,a3,1).
bond(m522,a2,a4,ar).
bond(m522,a3,a30,1).
bond(m522,a3,a31,1).
bond(m522,a3,a32,1).
bond(m522,a4,a5,1).
bond(m522,a4,a6,ar).
bond(m522,a5,a33,1).
bond(m522,a5,a34,1).
bond(m522,a5,a35,1).
bond(m522,a6,a7,ar).
bond(m522,a6,a36,1).
bond(m522,a7,a8,ar).
bond(m522,a7,a37,1).
bond(m522,a8,a9,1).
bond(m522,a9,a10,1).
bond(m522,a10,a11,2).
bond(m522,a10,a12,1).
bond(m522,a10,a21,1).
bond(m522,a12,a13,1).
bond(m522,a13,a14,ar).
bond(m522,a13,a20,ar).
bond(m522,a14,a15,ar).
bond(m522,a14,a38,1).
bond(m522,a15,a16,1).
bond(m522,a15,a17,ar).
bond(m522,a16,a39,1).
bond(m522,a16,a40,1).
bond(m522,a16,a41,1).
bond(m522,a17,a18,1).
bond(m522,a17,a19,ar).
bond(m522,a18,a42,1).
bond(m522,a18,a43,1).
bond(m522,a18,a44,1).
bond(m522,a19,a20,ar).
bond(m522,a19,a45,1).
bond(m522,a20,a46,1).
bond(m522,a21,a22,1).
bond(m522,a22,a23,ar).
bond(m522,a22,a29,ar).
bond(m522,a23,a24,ar).
bond(m522,a23,a47,1).
bond(m522,a24,a25,1).
bond(m522,a24,a26,ar).
bond(m522,a25,a48,1).
bond(m522,a25,a49,1).
bond(m522,a25,a50,1).
bond(m522,a26,a27,1).
bond(m522,a26,a28,ar).
bond(m522,a27,a51,1).
bond(m522,a27,a52,1).
bond(m522,a27,a53,1).
bond(m522,a28,a29,ar).
bond(m522,a28,a54,1).
bond(m522,a29,a55,1).
atm(m523,a1,c,c3,2.101,4.852,0.000,-0.129).
atm(m523,a2,c,c3,1.260,3.625,-0.270,-0.107).
atm(m523,a3,c,c3,1.202,3.173,-1.734,-0.063).
atm(m523,a4,c,c3,0.914,4.337,-2.668,-0.126).
atm(m523,a5,c,c3,2.428,2.367,-2.201,-0.158).
atm(m523,a6,c,c3,2.646,1.148,-1.319,-0.112).
atm(m523,a7,c,c2,3.706,3.188,-2.213,0.269).
atm(m523,a8,o,o2,4.399,3.304,-3.197,-0.313).
atm(m523,a9,h,h,3.179,4.630,-0.057,0.042).
atm(m523,a10,h,h,1.899,5.646,-0.739,0.051).
atm(m523,a11,h,h,1.903,5.261,0.998,0.044).
atm(m523,a12,h,h,1.632,2.775,0.347,0.059).
atm(m523,a13,h,h,0.224,3.818,0.072,0.052).
atm(m523,a14,h,h,0.341,2.460,-1.806,0.061).
atm(m523,a15,h,h,1.602,5.178,-2.484,0.050).
atm(m523,a16,h,h,1.006,4.049,-3.723,0.050).
atm(m523,a17,h,h,-0.105,4.718,-2.516,0.043).
atm(m523,a18,h,h,2.213,2.013,-3.242,0.087).
atm(m523,a19,h,h,2.674,1.431,-0.253,0.049).
atm(m523,a20,h,h,3.586,0.635,-1.560,0.047).
atm(m523,a21,h,h,1.832,0.421,-1.440,0.045).
atm(m523,a22,h,h,3.992,3.683,-1.265,0.060).
bond(m523,a1,a2,1).
bond(m523,a1,a9,1).
bond(m523,a1,a10,1).
bond(m523,a1,a11,1).
bond(m523,a2,a3,1).
bond(m523,a2,a12,1).
bond(m523,a2,a13,1).
bond(m523,a3,a4,1).
bond(m523,a3,a5,1).
bond(m523,a3,a14,1).
bond(m523,a4,a15,1).
bond(m523,a4,a16,1).
bond(m523,a4,a17,1).
bond(m523,a5,a6,1).
bond(m523,a5,a7,1).
bond(m523,a5,a18,1).
bond(m523,a6,a19,1).
bond(m523,a6,a20,1).
bond(m523,a6,a21,1).
bond(m523,a7,a8,2).
bond(m523,a7,a22,1).
atm(m524,a1,c,c3,10.899,2.095,0.000,0.227).
atm(m524,a2,o,o3,12.030,1.249,0.000,-0.302).
atm(m524,a3,c,c1,9.711,1.270,0.003,-0.197).
atm(m524,a4,c,c1,8.730,0.594,0.006,-0.147).
atm(m524,a5,c,c3,7.547,-0.227,0.010,0.047).
atm(m524,a6,c,c3,6.280,0.619,0.010,-0.102).
atm(m524,a7,c,c3,5.040,-0.261,0.019,-0.102).
atm(m524,a8,c,c3,3.770,0.576,0.019,-0.102).
atm(m524,a9,c,c3,2.530,-0.304,0.029,-0.102).
atm(m524,a10,c,c3,1.259,0.531,0.028,-0.097).
atm(m524,a11,c,c3,0.009,-0.329,0.038,-0.111).
atm(m524,a12,h,h,10.898,2.750,0.895,0.027).
atm(m524,a13,h,h,10.895,2.746,-0.898,0.027).
atm(m524,a14,h,h,12.786,1.821,-0.001,0.184).
atm(m524,a15,h,h,7.573,-0.895,-0.876,0.060).
atm(m524,a16,h,h,7.576,-0.890,0.899,0.060).
atm(m524,a17,h,h,6.274,1.294,0.888,0.056).
atm(m524,a18,h,h,6.267,1.284,-0.877,0.056).
atm(m524,a19,h,h,5.048,-0.937,-0.859,0.051).
atm(m524,a20,h,h,5.055,-0.926,0.906,0.052).
atm(m524,a21,h,h,3.763,1.252,0.897,0.052).
atm(m524,a22,h,h,3.756,1.241,-0.868,0.052).
atm(m524,a23,h,h,2.539,-0.980,-0.850,0.051).
atm(m524,a24,h,h,2.546,-0.969,0.916,0.051).
atm(m524,a25,h,h,1.263,1.210,0.904,0.048).
atm(m524,a26,h,h,1.257,1.200,-0.856,0.048).
atm(m524,a27,h,h,0.239,-1.404,0.046,0.041).
atm(m524,a28,h,h,-0.614,-0.131,0.920,0.036).
atm(m524,a29,h,h,-0.618,-0.145,-0.844,0.036).
bond(m524,a1,a2,1).
bond(m524,a1,a3,1).
bond(m524,a1,a12,1).
bond(m524,a1,a13,1).
bond(m524,a2,a14,1).
bond(m524,a3,a4,3).
bond(m524,a4,a5,1).
bond(m524,a5,a6,1).
bond(m524,a5,a15,1).
bond(m524,a5,a16,1).
bond(m524,a6,a7,1).
bond(m524,a6,a17,1).
bond(m524,a6,a18,1).
bond(m524,a7,a8,1).
bond(m524,a7,a19,1).
bond(m524,a7,a20,1).
bond(m524,a8,a9,1).
bond(m524,a8,a21,1).
bond(m524,a8,a22,1).
bond(m524,a9,a10,1).
bond(m524,a9,a23,1).
bond(m524,a9,a24,1).
bond(m524,a10,a11,1).
bond(m524,a10,a25,1).
bond(m524,a10,a26,1).
bond(m524,a11,a27,1).
bond(m524,a11,a28,1).
bond(m524,a11,a29,1).
atm(m525,a1,n,nar,2.100,0.000,0.000,-0.160).
atm(m525,a2,c,car,1.421,1.181,-0.059,0.131).
atm(m525,a3,o,o3,0.068,1.125,-0.007,-0.223).
atm(m525,a4,c,car,2.056,2.432,-0.169,-0.171).
atm(m525,a5,c,car,3.442,2.446,-0.219,-0.027).
atm(m525,a6,c,car,4.141,1.238,-0.160,-0.232).
atm(m525,a7,cl,cl,5.822,1.237,-0.220,0.087).
atm(m525,a8,c,car,3.451,0.029,-0.050,-0.009).
atm(m525,a9,h,h,-0.201,0.215,0.067,0.221).
atm(m525,a10,h,h,1.472,3.357,-0.213,0.134).
atm(m525,a11,h,h,3.989,3.391,-0.305,0.119).
atm(m525,a12,h,h,3.958,-0.941,-0.001,0.129).
bond(m525,a1,a2,ar).
bond(m525,a1,a8,ar).
bond(m525,a2,a3,1).
bond(m525,a2,a4,ar).
bond(m525,a3,a9,1).
bond(m525,a4,a5,ar).
bond(m525,a4,a10,1).
bond(m525,a5,a6,ar).
bond(m525,a5,a11,1).
bond(m525,a6,a7,1).
bond(m525,a6,a8,ar).
bond(m525,a8,a12,1).
atm(m526,a1,c,c3,4.855,3.501,0.000,-0.121).
atm(m526,a2,c,c3,4.896,1.994,-0.113,-0.144).
atm(m526,a3,c,c3,5.764,1.393,0.972,-0.128).
atm(m526,a4,s,s3,3.238,1.189,-0.223,-0.043).
atm(m526,a5,s,s3,1.931,1.890,1.137,-0.043).
atm(m526,a6,c,c3,2.065,1.043,2.771,-0.144).
atm(m526,a7,c,c3,2.134,-0.466,2.691,-0.121).
atm(m526,a8,c,c3,3.191,1.591,3.622,-0.128).
atm(m526,a9,h,h,5.868,3.924,-0.029,0.049).
atm(m526,a10,h,h,4.284,3.955,-0.821,0.061).
atm(m526,a11,h,h,4.392,3.824,0.944,0.057).
atm(m526,a12,h,h,5.306,1.706,-1.114,0.107).
atm(m526,a13,h,h,6.784,1.801,0.930,0.050).
atm(m526,a14,h,h,5.368,1.608,1.980,0.055).
atm(m526,a15,h,h,5.839,0.302,0.875,0.057).
atm(m526,a16,h,h,1.084,1.349,3.216,0.107).
atm(m526,a17,h,h,1.285,-0.882,2.132,0.061).
atm(m526,a18,h,h,3.055,-0.804,2.195,0.057).
atm(m526,a19,h,h,2.119,-0.913,3.694,0.049).
atm(m526,a20,h,h,3.127,2.682,3.727,0.057).
atm(m526,a21,h,h,3.166,1.160,4.632,0.050).
atm(m526,a22,h,h,4.181,1.359,3.192,0.055).
bond(m526,a1,a2,1).
bond(m526,a1,a9,1).
bond(m526,a1,a10,1).
bond(m526,a1,a11,1).
bond(m526,a2,a3,1).
bond(m526,a2,a4,1).
bond(m526,a2,a12,1).
bond(m526,a3,a13,1).
bond(m526,a3,a14,1).
bond(m526,a3,a15,1).
bond(m526,a4,a5,1).
bond(m526,a5,a6,1).
bond(m526,a6,a7,1).
bond(m526,a6,a8,1).
bond(m526,a6,a16,1).
bond(m526,a7,a17,1).
bond(m526,a7,a18,1).
bond(m526,a7,a19,1).
bond(m526,a8,a20,1).
bond(m526,a8,a21,1).
bond(m526,a8,a22,1).
atm(m527,a1,c,car,4.899,3.634,0.000,-0.243).
atm(m527,a2,c,c2,6.380,3.699,0.002,0.337).
atm(m527,a3,o,o2,7.132,2.753,0.005,-0.307).
atm(m527,a4,c,car,4.139,2.448,0.008,0.169).
atm(m527,a5,o,o3,4.856,1.278,0.019,-0.158).
atm(m527,a6,c,c3,4.145,0.064,0.028,0.045).
atm(m527,a7,c,car,2.739,2.505,0.005,-0.242).
atm(m527,a8,c,car,2.074,3.737,-0.006,0.148).
atm(m527,a9,o,o3,0.711,3.578,-0.007,-0.185).
atm(m527,a10,c,c3,-0.149,4.693,-0.018,0.025).
atm(m527,a11,c,car,2.834,4.936,-0.014,-0.024).
atm(m527,a12,o,o3,2.118,6.125,-0.024,-0.198).
atm(m527,a13,c,c3,2.821,7.346,-0.034,0.044).
atm(m527,a14,c,car,4.223,4.858,-0.011,-0.083).
atm(m527,a15,h,h,6.802,4.721,0.001,0.034).
atm(m527,a16,h,h,4.955,-0.670,0.035,0.058).
atm(m527,a17,h,h,3.525,-0.052,0.924,0.030).
atm(m527,a18,h,h,3.527,-0.067,-0.869,0.030).
atm(m527,a19,h,h,2.140,1.583,0.011,0.139).
atm(m527,a20,h,h,0.347,5.675,-0.028,0.078).
atm(m527,a21,h,h,-0.769,4.580,-0.913,0.036).
atm(m527,a22,h,h,-0.770,4.598,0.878,0.036).
atm(m527,a23,h,h,3.918,7.271,-0.033,0.043).
atm(m527,a24,h,h,2.493,7.874,-0.934,0.037).
atm(m527,a25,h,h,2.494,7.888,0.859,0.037).
atm(m527,a26,h,h,4.817,5.788,-0.017,0.117).
bond(m527,a1,a2,1).
bond(m527,a1,a4,ar).
bond(m527,a1,a14,ar).
bond(m527,a2,a3,2).
bond(m527,a2,a15,1).
bond(m527,a4,a5,1).
bond(m527,a4,a7,ar).
bond(m527,a5,a6,1).
bond(m527,a6,a16,1).
bond(m527,a6,a17,1).
bond(m527,a6,a18,1).
bond(m527,a7,a8,ar).
bond(m527,a7,a19,1).
bond(m527,a8,a9,1).
bond(m527,a8,a11,ar).
bond(m527,a9,a10,1).
bond(m527,a10,a20,1).
bond(m527,a10,a21,1).
bond(m527,a10,a22,1).
bond(m527,a11,a12,1).
bond(m527,a11,a14,ar).
bond(m527,a12,a13,1).
bond(m527,a13,a23,1).
bond(m527,a13,a24,1).
bond(m527,a13,a25,1).
bond(m527,a14,a26,1).
atm(m528,a1,c,c2,0.000,1.402,0.000,-0.108).
atm(m528,a2,c,c2,1.148,2.075,-0.030,-0.132).
atm(m528,a3,c,c3,1.233,3.556,-0.092,-0.063).
atm(m528,a4,c,c2,2.460,1.359,-0.033,0.419).
atm(m528,a5,o,o2,3.191,1.177,-0.986,-0.376).
atm(m528,a6,o,o3,2.796,0.897,1.204,-0.262).
atm(m528,a7,c,c3,4.030,0.177,1.385,0.088).
atm(m528,a8,c,c3,3.795,-0.726,2.592,-0.127).
atm(m528,a9,c,c3,5.175,1.150,1.643,-0.144).
atm(m528,a10,h,h,-0.052,0.318,0.045,0.088).
atm(m528,a11,h,h,-0.966,1.899,-0.020,0.087).
atm(m528,a12,h,h,1.772,3.879,-0.993,0.058).
atm(m528,a13,h,h,0.239,4.023,-0.112,0.047).
atm(m528,a14,h,h,1.770,3.952,0.780,0.052).
atm(m528,a15,h,h,4.252,-0.448,0.486,0.072).
atm(m528,a16,h,h,4.697,-1.315,2.804,0.048).
atm(m528,a17,h,h,3.555,-0.152,3.497,0.051).
atm(m528,a18,h,h,2.970,-1.430,2.421,0.048).
atm(m528,a19,h,h,6.102,0.600,1.850,0.049).
atm(m528,a20,h,h,5.360,1.796,0.776,0.056).
atm(m528,a21,h,h,4.975,1.800,2.505,0.049).
bond(m528,a1,a2,2).
bond(m528,a1,a10,1).
bond(m528,a1,a11,1).
bond(m528,a2,a3,1).
bond(m528,a2,a4,1).
bond(m528,a3,a12,1).
bond(m528,a3,a13,1).
bond(m528,a3,a14,1).
bond(m528,a4,a5,2).
bond(m528,a4,a6,1).
bond(m528,a6,a7,1).
bond(m528,a7,a8,1).
bond(m528,a7,a9,1).
bond(m528,a7,a15,1).
bond(m528,a8,a16,1).
bond(m528,a8,a17,1).
bond(m528,a8,a18,1).
bond(m528,a9,a19,1).
bond(m528,a9,a20,1).
bond(m528,a9,a21,1).
atm(m529,a1,c,c2,0.000,0.699,0.000,-0.129).
atm(m529,a2,c,c2,1.141,0.022,-0.005,-0.168).
atm(m529,a3,c,c3,2.517,0.623,-0.005,0.118).
atm(m529,a4,o,o3,2.430,2.029,0.113,-0.312).
atm(m529,a5,c,c3,3.346,-0.018,1.129,-0.135).
atm(m529,a6,c,c3,4.676,0.662,1.418,-0.100).
atm(m529,a7,c,c3,5.491,0.952,0.176,-0.114).
atm(m529,a8,h,h,-0.064,1.783,0.015,0.095).
atm(m529,a9,h,h,-0.965,0.200,-0.011,0.073).
atm(m529,a10,h,h,1.138,-1.076,-0.019,0.095).
atm(m529,a11,h,h,2.992,0.384,-0.992,0.041).
atm(m529,a12,h,h,3.322,2.342,-0.004,0.194).
atm(m529,a13,h,h,2.747,-0.034,2.061,0.064).
atm(m529,a14,h,h,3.519,-1.080,0.864,0.054).
atm(m529,a15,h,h,4.508,1.605,1.978,0.054).
atm(m529,a16,h,h,5.260,0.018,2.105,0.052).
atm(m529,a17,h,h,6.497,1.307,0.431,0.043).
atm(m529,a18,h,h,5.603,0.062,-0.457,0.043).
atm(m529,a19,h,h,5.013,1.735,-0.436,0.032).
bond(m529,a1,a2,2).
bond(m529,a1,a8,1).
bond(m529,a1,a9,1).
bond(m529,a2,a3,1).
bond(m529,a2,a10,1).
bond(m529,a3,a4,1).
bond(m529,a3,a5,1).
bond(m529,a3,a11,1).
bond(m529,a4,a12,1).
bond(m529,a5,a6,1).
bond(m529,a5,a13,1).
bond(m529,a5,a14,1).
bond(m529,a6,a7,1).
bond(m529,a6,a15,1).
bond(m529,a6,a16,1).
bond(m529,a7,a17,1).
bond(m529,a7,a18,1).
bond(m529,a7,a19,1).
atm(m52,a1,c,car,2.425,0.700,0.000,-0.102).
atm(m52,a2,c,car,1.220,0.004,0.000,-0.102).
atm(m52,a3,c,car,0.015,0.700,0.000,-0.102).
atm(m52,a4,c,car,0.015,2.091,0.000,-0.102).
atm(m52,a5,c,car,1.220,2.787,0.000,-0.102).
atm(m52,a6,c,car,2.425,2.091,0.000,-0.102).
atm(m52,a7,h,h,3.373,0.153,0.000,0.102).
atm(m52,a8,h,h,1.220,-1.090,0.000,0.102).
atm(m52,a9,h,h,-0.933,0.153,0.000,0.102).
atm(m52,a10,h,h,-0.933,2.639,0.000,0.102).
atm(m52,a11,h,h,1.220,3.882,0.000,0.102).
atm(m52,a12,h,h,3.373,2.638,0.000,0.102).
bond(m52,a1,a2,ar).
bond(m52,a1,a6,ar).
bond(m52,a1,a7,1).
bond(m52,a2,a3,ar).
bond(m52,a2,a8,1).
bond(m52,a3,a4,ar).
bond(m52,a3,a9,1).
bond(m52,a4,a5,ar).
bond(m52,a4,a10,1).
bond(m52,a5,a6,ar).
bond(m52,a5,a11,1).
bond(m52,a6,a12,1).
atm(m530,a1,o,o3,4.202,0.000,0.000,-0.210).
atm(m530,a2,c,car,3.486,1.160,0.000,0.126).
atm(m530,a3,c,car,2.086,1.026,0.000,-0.181).
atm(m530,a4,cl,cl,1.363,-0.485,-0.001,0.133).
atm(m530,a5,c,car,1.291,2.172,0.000,-0.103).
atm(m530,a6,cl,cl,-0.376,2.029,0.000,0.127).
atm(m530,a7,c,car,1.879,3.439,0.001,-0.179).
atm(m530,a8,cl,cl,0.915,4.810,0.001,0.122).
atm(m530,a9,c,car,3.269,3.558,0.001,-0.086).
atm(m530,a10,cl,cl,3.970,5.082,0.002,0.104).
atm(m530,a11,c,car,4.082,2.428,0.001,-0.186).
atm(m530,a12,h,h,5.125,0.223,0.000,0.204).
atm(m530,a13,h,h,5.172,2.546,0.001,0.129).
bond(m530,a1,a2,1).
bond(m530,a1,a12,1).
bond(m530,a2,a3,ar).
bond(m530,a2,a11,ar).
bond(m530,a3,a4,1).
bond(m530,a3,a5,ar).
bond(m530,a5,a6,1).
bond(m530,a5,a7,ar).
bond(m530,a7,a8,1).
bond(m530,a7,a9,ar).
bond(m530,a9,a10,1).
bond(m530,a9,a11,ar).
bond(m530,a11,a13,1).
atm(m531,a1,c,car,2.100,0.000,0.000,-0.161).
atm(m531,a2,c,car,0.708,-0.004,0.000,-0.054).
atm(m531,a3,n,nar,-0.004,1.149,0.002,-0.084).
atm(m531,a4,c,car,0.651,2.330,0.002,-0.053).
atm(m531,a5,c,car,2.046,2.399,0.002,-0.159).
atm(m531,a6,c,car,2.790,1.219,0.001,-0.033).
atm(m531,a7,c,c3,4.284,1.172,0.000,-0.061).
atm(m531,a8,c,c3,4.973,2.526,0.002,-0.061).
atm(m531,a9,c,car,6.468,2.478,0.003,-0.033).
atm(m531,a10,c,car,7.157,3.698,0.007,-0.161).
atm(m531,a11,c,car,8.549,3.701,0.008,-0.054).
atm(m531,a12,n,nar,9.261,2.549,0.005,-0.084).
atm(m531,a13,c,car,8.606,1.368,0.001,-0.053).
atm(m531,a14,c,car,7.211,1.299,0.000,-0.159).
atm(m531,a15,h,h,2.652,-0.946,-0.001,0.116).
atm(m531,a16,h,h,0.119,-0.928,0.000,0.119).
atm(m531,a17,h,h,0.020,3.225,0.003,0.118).
atm(m531,a18,h,h,2.534,3.380,0.002,0.119).
atm(m531,a19,h,h,4.607,0.585,0.886,0.067).
atm(m531,a20,h,h,4.607,0.588,-0.887,0.067).
atm(m531,a21,h,h,4.651,3.112,-0.883,0.067).
atm(m531,a22,h,h,4.650,3.110,0.889,0.067).
atm(m531,a23,h,h,6.605,4.644,0.010,0.116).
atm(m531,a24,h,h,9.138,4.626,0.012,0.119).
atm(m531,a25,h,h,9.238,0.472,-0.001,0.118).
atm(m531,a26,h,h,6.723,0.318,-0.003,0.119).
bond(m531,a1,a2,ar).
bond(m531,a1,a6,ar).
bond(m531,a1,a15,1).
bond(m531,a2,a3,ar).
bond(m531,a2,a16,1).
bond(m531,a3,a4,ar).
bond(m531,a4,a5,ar).
bond(m531,a4,a17,1).
bond(m531,a5,a6,ar).
bond(m531,a5,a18,1).
bond(m531,a6,a7,1).
bond(m531,a7,a8,1).
bond(m531,a7,a19,1).
bond(m531,a7,a20,1).
bond(m531,a8,a9,1).
bond(m531,a8,a21,1).
bond(m531,a8,a22,1).
bond(m531,a9,a10,ar).
bond(m531,a9,a14,ar).
bond(m531,a10,a11,ar).
bond(m531,a10,a23,1).
bond(m531,a11,a12,ar).
bond(m531,a11,a24,1).
bond(m531,a12,a13,ar).
bond(m531,a13,a14,ar).
bond(m531,a13,a25,1).
bond(m531,a14,a26,1).
atm(m532,a1,c,c3,4.206,1.211,0.000,-0.165).
atm(m532,a2,c,c2,2.707,1.233,-0.119,0.256).
atm(m532,a3,o,o2,2.030,0.224,-0.170,-0.309).
atm(m532,a4,n,nam,2.045,2.513,-0.132,0.027).
atm(m532,a5,c,c3,0.549,2.540,-0.023,-0.085).
atm(m532,a6,c,c3,-0.125,2.381,-1.371,-0.127).
atm(m532,a7,c,c2,2.751,3.747,-0.206,-0.062).
atm(m532,a8,s,s2,2.030,5.189,0.141,-0.240).
atm(m532,a9,n,nam,4.114,3.661,-0.608,0.027).
atm(m532,a10,c,c3,4.831,4.917,-1.008,-0.085).
atm(m532,a11,c,c3,4.821,5.127,-2.509,-0.127).
atm(m532,a12,c,c2,4.852,2.424,-0.612,0.256).
atm(m532,a13,o,o2,5.976,2.415,-1.078,-0.309).
atm(m532,a14,h,h,4.615,0.285,-0.460,0.123).
atm(m532,a15,h,h,4.488,1.147,1.074,0.113).
atm(m532,a16,h,h,0.235,1.735,0.672,0.078).
atm(m532,a17,h,h,0.252,3.504,0.452,0.114).
atm(m532,a18,h,h,0.144,3.184,-2.069,0.051).
atm(m532,a19,h,h,0.117,1.425,-1.854,0.053).
atm(m532,a20,h,h,-1.216,2.413,-1.244,0.055).
atm(m532,a21,h,h,4.344,5.776,-0.489,0.114).
atm(m532,a22,h,h,5.870,4.863,-0.624,0.078).
atm(m532,a23,h,h,5.349,6.059,-2.754,0.055).
atm(m532,a24,h,h,5.325,4.316,-3.051,0.053).
atm(m532,a25,h,h,3.803,5.215,-2.911,0.051).
bond(m532,a1,a2,1).
bond(m532,a1,a12,1).
bond(m532,a1,a14,1).
bond(m532,a1,a15,1).
bond(m532,a2,a3,2).
bond(m532,a2,a4,1).
bond(m532,a4,a5,1).
bond(m532,a4,a7,1).
bond(m532,a5,a6,1).
bond(m532,a5,a16,1).
bond(m532,a5,a17,1).
bond(m532,a6,a18,1).
bond(m532,a6,a19,1).
bond(m532,a6,a20,1).
bond(m532,a7,a8,2).
bond(m532,a7,a9,1).
bond(m532,a9,a10,1).
bond(m532,a9,a12,1).
bond(m532,a10,a11,1).
bond(m532,a10,a21,1).
bond(m532,a10,a22,1).
bond(m532,a11,a23,1).
bond(m532,a11,a24,1).
bond(m532,a11,a25,1).
bond(m532,a12,a13,2).
atm(m533,a1,c,c3,0.000,4.200,0.000,-0.137).
atm(m533,a2,o,o3,1.213,3.496,0.000,0.027).
atm(m533,a3,c,c2,2.427,4.200,0.000,0.210).
atm(m533,a4,o,o2,2.427,5.600,0.000,-0.412).
atm(m533,a5,c,car,3.640,3.496,0.000,0.021).
atm(m533,a6,c,car,4.845,4.200,0.000,-0.051).
atm(m533,a7,c,car,6.058,3.496,0.000,-0.124).
atm(m533,a8,c,car,6.058,2.096,0.000,-0.157).
atm(m533,a9,c,c2,7.272,1.400,0.000,0.383).
atm(m533,a10,o,o2,7.272,0.000,0.000,-0.365).
atm(m533,a11,o,o3,8.485,2.096,0.000,-0.186).
atm(m533,a12,c,c3,8.485,3.496,0.000,0.028).
atm(m533,a13,c,car,4.845,1.400,0.000,0.082).
atm(m533,a14,c,car,3.640,2.096,0.000,-0.315).
atm(m533,a15,n,n4,2.427,1.400,0.000,1.000).
atm(m533,a16,o,oco2,1.213,2.096,0.000,-0.375).
atm(m533,a17,o,oco2,2.427,0.000,0.000,-0.499).
atm(m533,a18,h,h,0.202,5.271,0.000,0.073).
atm(m533,a19,h,h,-0.572,3.938,-0.890,0.050).
atm(m533,a20,h,h,-0.572,3.938,0.890,0.050).
atm(m533,a21,h,h,4.843,5.290,0.000,0.156).
atm(m533,a22,h,h,7.003,4.040,0.000,0.200).
atm(m533,a23,h,h,9.513,3.859,0.000,0.076).
atm(m533,a24,h,h,7.971,3.859,-0.890,0.048).
atm(m533,a25,h,h,7.971,3.859,0.890,0.048).
atm(m533,a26,h,h,4.843,0.310,0.000,0.172).
bond(m533,a1,a2,1).
bond(m533,a1,a18,1).
bond(m533,a1,a19,1).
bond(m533,a1,a20,1).
bond(m533,a2,a3,1).
bond(m533,a3,a4,2).
bond(m533,a3,a5,1).
bond(m533,a5,a6,ar).
bond(m533,a5,a14,ar).
bond(m533,a6,a7,ar).
bond(m533,a6,a21,1).
bond(m533,a7,a8,ar).
bond(m533,a7,a22,1).
bond(m533,a8,a9,1).
bond(m533,a8,a13,ar).
bond(m533,a9,a10,2).
bond(m533,a9,a11,1).
bond(m533,a11,a12,1).
bond(m533,a12,a23,1).
bond(m533,a12,a24,1).
bond(m533,a12,a25,1).
bond(m533,a13,a14,ar).
bond(m533,a13,a26,1).
bond(m533,a14,a15,1).
bond(m533,a15,a16,2).
bond(m533,a15,a17,1).
atm(m534,a1,c,car,4.764,2.795,0.000,-0.056).
atm(m534,a2,c,car,5.954,2.096,0.000,-0.058).
atm(m534,a3,c,car,5.962,0.691,0.000,-0.140).
atm(m534,a4,cl,cl,7.446,-0.111,0.000,0.096).
atm(m534,a5,c,car,4.789,-0.045,0.000,-0.034).
atm(m534,a6,c,car,3.582,0.669,0.000,-0.062).
atm(m534,a7,n,nar,2.303,0.080,0.000,0.020).
atm(m534,a8,c,car,1.319,0.987,0.000,-0.244).
atm(m534,a9,s,s3,-0.320,0.644,0.000,0.026).
atm(m534,a10,s,s3,1.925,2.673,0.000,0.284).
atm(m534,a11,c,car,3.557,2.083,0.000,-0.221).
atm(m534,a12,h,h,4.757,3.891,0.000,0.125).
atm(m534,a13,h,h,6.911,2.632,0.000,0.123).
atm(m534,a14,h,h,4.802,-1.141,0.000,0.141).
bond(m534,a1,a2,ar).
bond(m534,a1,a11,ar).
bond(m534,a1,a12,1).
bond(m534,a2,a3,ar).
bond(m534,a2,a13,1).
bond(m534,a3,a4,1).
bond(m534,a3,a5,ar).
bond(m534,a5,a6,ar).
bond(m534,a5,a14,1).
bond(m534,a6,a7,ar).
bond(m534,a6,a11,ar).
bond(m534,a7,a8,ar).
bond(m534,a8,a9,1).
bond(m534,a8,a10,ar).
bond(m534,a10,a11,ar).
atm(m535,a1,c,c3,0.000,1.207,0.000,0.081).
atm(m535,a2,o,o3,1.409,1.288,0.066,-0.286).
atm(m535,a3,c,c2,2.129,0.129,0.230,0.432).
atm(m535,a4,o,o2,1.525,-0.923,0.289,-0.368).
atm(m535,a5,c,car,3.601,0.329,0.294,-0.167).
atm(m535,a6,c,car,4.413,-0.725,-0.138,-0.016).
atm(m535,a7,c,car,5.794,-0.610,-0.116,-0.141).
atm(m535,a8,c,car,6.386,0.574,0.334,-0.073).
atm(m535,a9,c,c2,7.865,0.750,0.293,0.396).
atm(m535,a10,o,o2,8.465,1.688,-0.188,-0.330).
atm(m535,a11,o,o3,8.776,-0.134,0.801,-0.233).
atm(m535,a12,c,c3,8.329,-1.315,1.422,0.043).
atm(m535,a13,c,car,5.600,1.629,0.775,-0.119).
atm(m535,a14,c,car,4.197,1.513,0.771,-0.013).
atm(m535,a15,n,npl3,3.421,2.553,1.345,0.059).
atm(m535,a16,h,h,-0.331,0.617,-0.861,0.039).
atm(m535,a17,h,h,-0.287,2.255,-0.120,0.043).
atm(m535,a18,h,h,-0.427,0.794,0.920,0.039).
atm(m535,a19,h,h,3.951,-1.654,-0.494,0.123).
atm(m535,a20,h,h,6.430,-1.451,-0.431,0.124).
atm(m535,a21,h,h,9.260,-1.816,1.699,0.056).
atm(m535,a22,h,h,7.729,-1.107,2.314,0.032).
atm(m535,a23,h,h,7.749,-1.941,0.726,0.031).
atm(m535,a24,h,h,6.081,2.557,1.113,0.130).
atm(m535,a25,h,h,3.841,3.448,1.237,0.044).
atm(m535,a26,h,h,2.470,2.530,1.025,0.073).
bond(m535,a1,a2,1).
bond(m535,a1,a16,1).
bond(m535,a1,a17,1).
bond(m535,a1,a18,1).
bond(m535,a2,a3,1).
bond(m535,a3,a4,2).
bond(m535,a3,a5,1).
bond(m535,a5,a6,ar).
bond(m535,a5,a14,ar).
bond(m535,a6,a7,ar).
bond(m535,a6,a19,1).
bond(m535,a7,a8,ar).
bond(m535,a7,a20,1).
bond(m535,a8,a9,1).
bond(m535,a8,a13,ar).
bond(m535,a9,a10,2).
bond(m535,a9,a11,1).
bond(m535,a11,a12,1).
bond(m535,a12,a21,1).
bond(m535,a12,a22,1).
bond(m535,a12,a23,1).
bond(m535,a13,a14,ar).
bond(m535,a13,a24,1).
bond(m535,a14,a15,1).
bond(m535,a15,a25,1).
bond(m535,a15,a26,1).
atm(m536,a1,c,c3,8.493,0.696,0.000,-0.100).
atm(m536,a2,c,c3,7.185,-0.046,-0.089,-0.156).
atm(m536,a3,s,s3,5.801,1.135,0.086,-0.052).
atm(m536,a4,c,c3,4.364,0.021,-0.095,-0.158).
atm(m536,a5,c,c3,3.101,0.845,-0.052,-0.158).
atm(m536,a6,s,s3,1.663,-0.270,-0.230,-0.052).
atm(m536,a7,c,c3,0.282,0.924,-0.145,-0.156).
atm(m536,a8,c,c3,-1.027,0.187,-0.267,-0.100).
atm(m536,a9,h,h,9.339,0.003,-0.102,0.045).
atm(m536,a10,h,h,8.591,1.451,-0.792,0.055).
atm(m536,a11,h,h,8.606,1.212,0.963,0.055).
atm(m536,a12,h,h,7.103,-0.581,-1.053,0.070).
atm(m536,a13,h,h,7.121,-0.821,0.697,0.070).
atm(m536,a14,h,h,4.434,-0.542,-1.046,0.086).
atm(m536,a15,h,h,4.365,-0.738,0.710,0.087).
atm(m536,a16,h,h,3.031,1.409,0.898,0.086).
atm(m536,a17,h,h,3.098,1.604,-0.858,0.086).
atm(m536,a18,h,h,0.327,1.485,0.806,0.070).
atm(m536,a19,h,h,0.383,1.676,-0.948,0.070).
atm(m536,a20,h,h,-1.105,-0.355,-1.220,0.055).
atm(m536,a21,h,h,-1.162,-0.545,0.541,0.055).
atm(m536,a22,h,h,-1.872,0.887,-0.219,0.045).
bond(m536,a1,a2,1).
bond(m536,a1,a9,1).
bond(m536,a1,a10,1).
bond(m536,a1,a11,1).
bond(m536,a2,a3,1).
bond(m536,a2,a12,1).
bond(m536,a2,a13,1).
bond(m536,a3,a4,1).
bond(m536,a4,a5,1).
bond(m536,a4,a14,1).
bond(m536,a4,a15,1).
bond(m536,a5,a6,1).
bond(m536,a5,a16,1).
bond(m536,a5,a17,1).
bond(m536,a6,a7,1).
bond(m536,a7,a8,1).
bond(m536,a7,a18,1).
bond(m536,a7,a19,1).
bond(m536,a8,a20,1).
bond(m536,a8,a21,1).
bond(m536,a8,a22,1).
atm(m537,a1,c,c3,4.855,2.099,0.000,-0.100).
atm(m537,a2,n,n3,4.900,0.621,-0.050,-0.072).
atm(m537,a3,c,c3,5.586,0.040,1.124,-0.087).
atm(m537,a4,c,c3,3.553,0.017,-0.275,-0.074).
atm(m537,a5,c,c3,3.029,0.373,-1.663,-0.134).
atm(m537,a6,c,c3,1.614,-0.125,-1.842,-0.068).
atm(m537,a7,cl,cl,1.052,0.323,-3.470,-0.073).
atm(m537,a8,h,h,5.877,2.491,-0.071,0.050).
atm(m537,a9,h,h,4.277,2.465,-0.865,0.054).
atm(m537,a10,h,h,4.392,2.494,0.917,0.025).
atm(m537,a11,h,h,6.586,0.484,1.210,0.048).
atm(m537,a12,h,h,5.051,0.207,2.072,0.023).
atm(m537,a13,h,h,5.703,-1.042,0.980,0.047).
atm(m537,a14,h,h,3.648,-1.083,-0.177,0.057).
atm(m537,a15,h,h,2.830,0.340,0.506,0.034).
atm(m537,a16,h,h,3.073,1.477,-1.812,0.073).
atm(m537,a17,h,h,3.682,-0.056,-2.448,0.077).
atm(m537,a18,h,h,1.547,-1.222,-1.740,0.062).
atm(m537,a19,h,h,0.921,0.317,-1.103,0.060).
bond(m537,a1,a2,1).
bond(m537,a1,a8,1).
bond(m537,a1,a9,1).
bond(m537,a1,a10,1).
bond(m537,a2,a3,1).
bond(m537,a2,a4,1).
bond(m537,a3,a11,1).
bond(m537,a3,a12,1).
bond(m537,a3,a13,1).
bond(m537,a4,a5,1).
bond(m537,a4,a14,1).
bond(m537,a4,a15,1).
bond(m537,a5,a6,1).
bond(m537,a5,a16,1).
bond(m537,a5,a17,1).
bond(m537,a6,a7,1).
bond(m537,a6,a18,1).
bond(m537,a6,a19,1).
atm(m538,a1,c,car,4.857,3.503,0.000,0.004).
atm(m538,a2,c,car,4.851,2.104,0.000,-0.191).
atm(m538,a3,c,c2,6.125,1.318,0.001,0.324).
atm(m538,a4,o,o2,6.111,0.101,0.001,-0.302).
atm(m538,a5,c,c3,7.425,2.077,0.001,-0.165).
atm(m538,a6,c,car,3.629,1.431,0.001,0.052).
atm(m538,a7,c,car,2.414,2.132,0.000,-0.426).
atm(m538,a8,n,n4,1.135,1.344,0.000,1.311).
atm(m538,a9,o,oco2,0.068,1.921,0.000,-0.595).
atm(m538,a10,o,oco2,1.190,0.131,0.000,-0.591).
atm(m538,a11,c,car,2.438,3.535,0.000,-0.038).
atm(m538,a12,cl,cl,1.061,4.482,-0.001,0.168).
atm(m538,a13,c,car,3.664,4.206,0.000,-0.154).
atm(m538,a14,h,h,5.804,4.057,0.000,0.114).
atm(m538,a15,h,h,8.295,1.406,0.001,0.074).
atm(m538,a16,h,h,7.505,2.717,-0.888,0.064).
atm(m538,a17,h,h,7.505,2.718,0.889,0.064).
atm(m538,a18,h,h,3.632,0.327,0.001,0.156).
atm(m538,a19,h,h,3.671,5.303,-0.001,0.129).
bond(m538,a1,a2,ar).
bond(m538,a1,a13,ar).
bond(m538,a1,a14,1).
bond(m538,a2,a3,1).
bond(m538,a2,a6,ar).
bond(m538,a3,a4,2).
bond(m538,a3,a5,1).
bond(m538,a5,a15,1).
bond(m538,a5,a16,1).
bond(m538,a5,a17,1).
bond(m538,a6,a7,ar).
bond(m538,a6,a18,1).
bond(m538,a7,a8,1).
bond(m538,a7,a11,ar).
bond(m538,a8,a9,2).
bond(m538,a8,a10,1).
bond(m538,a11,a12,1).
bond(m538,a11,a13,ar).
bond(m538,a13,a19,1).
atm(m539,a1,c,c3,0.000,2.426,0.000,-0.078).
atm(m539,a2,c,car,1.488,2.452,0.031,0.059).
atm(m539,a3,c,car,2.190,3.665,-0.002,-0.267).
atm(m539,a4,c,car,3.584,3.617,0.056,-0.022).
atm(m539,a5,cl,cl,4.493,5.036,0.038,0.108).
atm(m539,a6,n,nar,4.261,2.446,0.133,-0.167).
atm(m539,a7,c,car,3.522,1.289,0.142,-0.016).
atm(m539,a8,n,npl3,4.206,0.064,0.083,0.133).
atm(m539,a9,n,nar,2.148,1.268,0.107,-0.171).
atm(m539,a10,h,h,-0.401,2.597,1.009,0.058).
atm(m539,a11,h,h,-0.402,1.468,-0.357,0.067).
atm(m539,a12,h,h,-0.392,3.219,-0.651,0.052).
atm(m539,a13,h,h,1.663,4.622,-0.067,0.140).
atm(m539,a14,h,h,5.139,0.092,0.425,0.052).
atm(m539,a15,h,h,3.687,-0.718,0.411,0.052).
bond(m539,a1,a2,1).
bond(m539,a1,a10,1).
bond(m539,a1,a11,1).
bond(m539,a1,a12,1).
bond(m539,a2,a3,ar).
bond(m539,a2,a9,ar).
bond(m539,a3,a4,ar).
bond(m539,a3,a13,1).
bond(m539,a4,a5,1).
bond(m539,a4,a6,ar).
bond(m539,a6,a7,ar).
bond(m539,a7,a8,1).
bond(m539,a7,a9,ar).
bond(m539,a8,a14,1).
bond(m539,a8,a15,1).
atm(m53,a1,cl,cl,1.400,0.000,0.000,0.014).
atm(m53,a2,c,c3,1.366,1.754,0.142,-0.109).
atm(m53,a3,cl,cl,-0.317,2.258,0.239,0.014).
atm(m53,a4,cl,cl,2.052,2.431,-1.330,0.014).
atm(m53,a5,c,c3,2.132,2.209,1.350,-0.155).
atm(m53,a6,h,h,2.112,3.303,1.441,0.074).
atm(m53,a7,h,h,1.706,1.787,2.269,0.074).
atm(m53,a8,h,h,3.183,1.895,1.292,0.074).
bond(m53,a1,a2,1).
bond(m53,a2,a3,1).
bond(m53,a2,a4,1).
bond(m53,a2,a5,1).
bond(m53,a5,a6,1).
bond(m53,a5,a7,1).
bond(m53,a5,a8,1).
atm(m540,a1,c,c3,4.206,3.639,0.000,-0.047).
atm(m540,a2,c,car,3.463,2.351,-0.005,-0.134).
atm(m540,a3,c,car,3.899,1.268,-0.800,0.114).
atm(m540,a4,o,o3,5.029,1.524,-1.551,-0.187).
atm(m540,a5,c,c3,5.575,0.463,-2.295,0.051).
atm(m540,a6,c,car,3.213,0.049,-0.811,-0.215).
atm(m540,a7,c,car,2.071,-0.103,-0.033,-0.035).
atm(m540,a8,c,car,1.606,0.943,0.748,-0.216).
atm(m540,a9,c,car,2.298,2.162,0.759,0.110).
atm(m540,a10,o,o3,1.844,3.262,1.467,-0.191).
atm(m540,a11,c,c3,1.014,2.995,2.572,0.047).
atm(m540,a12,h,h,5.293,3.478,0.016,0.049).
atm(m540,a13,h,h,3.970,4.220,-0.902,0.048).
atm(m540,a14,h,h,3.966,4.265,0.869,0.052).
atm(m540,a15,h,h,6.454,0.929,-2.748,0.050).
atm(m540,a16,h,h,5.879,-0.379,-1.662,0.029).
atm(m540,a17,h,h,4.893,0.109,-3.077,0.028).
atm(m540,a18,h,h,3.554,-0.792,-1.423,0.118).
atm(m540,a19,h,h,1.533,-1.056,-0.041,0.099).
atm(m540,a20,h,h,0.696,0.829,1.354,0.121).
atm(m540,a21,h,h,1.597,2.610,3.415,0.027).
atm(m540,a22,h,h,0.205,2.286,2.339,0.032).
atm(m540,a23,h,h,0.604,3.979,2.810,0.049).
bond(m540,a1,a2,1).
bond(m540,a1,a12,1).
bond(m540,a1,a13,1).
bond(m540,a1,a14,1).
bond(m540,a2,a3,ar).
bond(m540,a2,a9,ar).
bond(m540,a3,a4,1).
bond(m540,a3,a6,ar).
bond(m540,a4,a5,1).
bond(m540,a5,a15,1).
bond(m540,a5,a16,1).
bond(m540,a5,a17,1).
bond(m540,a6,a7,ar).
bond(m540,a6,a18,1).
bond(m540,a7,a8,ar).
bond(m540,a7,a19,1).
bond(m540,a8,a9,ar).
bond(m540,a8,a20,1).
bond(m540,a9,a10,1).
bond(m540,a10,a11,1).
bond(m540,a11,a21,1).
bond(m540,a11,a22,1).
bond(m540,a11,a23,1).
atm(m541,a1,n,nar,2.795,0.000,0.000,-0.159).
atm(m541,a2,c,car,2.112,1.189,0.000,0.024).
atm(m541,a3,n,npl3,0.707,1.108,0.000,0.040).
atm(m541,a4,c,c3,-0.036,-0.163,0.000,-0.075).
atm(m541,a5,c,c3,-0.127,2.321,0.000,-0.086).
atm(m541,a6,c,car,2.805,2.421,0.000,-0.238).
atm(m541,a7,c,car,4.190,2.411,-0.001,-0.013).
atm(m541,a8,c,car,4.877,1.199,0.000,-0.224).
atm(m541,a9,c,car,4.144,0.014,0.000,-0.008).
atm(m541,a10,h,h,0.627,-1.038,0.001,0.083).
atm(m541,a11,h,h,-0.680,-0.221,0.890,0.034).
atm(m541,a12,h,h,-0.680,-0.222,-0.890,0.034).
atm(m541,a13,h,h,0.487,3.236,-0.001,0.059).
atm(m541,a14,h,h,-0.774,2.342,-0.890,0.040).
atm(m541,a15,h,h,-0.773,2.342,0.890,0.040).
atm(m541,a16,h,h,2.250,3.369,-0.001,0.124).
atm(m541,a17,h,h,4.743,3.357,-0.001,0.100).
atm(m541,a18,h,h,5.970,1.175,-0.001,0.116).
atm(m541,a19,h,h,4.618,-0.975,0.000,0.111).
bond(m541,a1,a2,ar).
bond(m541,a1,a9,ar).
bond(m541,a2,a3,1).
bond(m541,a2,a6,ar).
bond(m541,a3,a4,1).
bond(m541,a3,a5,1).
bond(m541,a4,a10,1).
bond(m541,a4,a11,1).
bond(m541,a4,a12,1).
bond(m541,a5,a13,1).
bond(m541,a5,a14,1).
bond(m541,a5,a15,1).
bond(m541,a6,a7,ar).
bond(m541,a6,a16,1).
bond(m541,a7,a8,ar).
bond(m541,a7,a17,1).
bond(m541,a8,a9,ar).
bond(m541,a8,a18,1).
bond(m541,a9,a19,1).
atm(m542,a1,c,c3,0.513,2.426,0.000,-0.113).
atm(m542,a2,c,c3,1.454,1.223,0.046,-0.048).
atm(m542,a3,c,c3,0.872,0.167,0.984,-0.118).
atm(m542,a4,c,c3,1.588,0.643,-1.360,-0.107).
atm(m542,a5,c,c3,2.824,1.702,0.571,-0.102).
atm(m542,a6,n,n3,3.825,0.615,0.660,-0.047).
atm(m542,a7,h,h,0.892,3.206,-0.674,0.043).
atm(m542,a8,h,h,-0.484,2.136,-0.359,0.043).
atm(m542,a9,h,h,0.385,2.880,0.992,0.040).
atm(m542,a10,h,h,0.657,0.585,1.977,0.040).
atm(m542,a11,h,h,-0.065,-0.245,0.589,0.047).
atm(m542,a12,h,h,1.573,-0.672,1.122,0.044).
atm(m542,a13,h,h,2.220,-0.254,-1.372,0.051).
atm(m542,a14,h,h,0.607,0.360,-1.766,0.038).
atm(m542,a15,h,h,2.034,1.372,-2.050,0.044).
atm(m542,a16,h,h,3.244,2.462,-0.119,0.060).
atm(m542,a17,h,h,2.674,2.214,1.546,0.030).
atm(m542,a18,h,h,4.553,0.890,1.283,0.025).
atm(m542,a19,h,h,3.382,-0.214,1.013,0.031).
bond(m542,a1,a2,1).
bond(m542,a1,a7,1).
bond(m542,a1,a8,1).
bond(m542,a1,a9,1).
bond(m542,a2,a3,1).
bond(m542,a2,a4,1).
bond(m542,a2,a5,1).
bond(m542,a3,a10,1).
bond(m542,a3,a11,1).
bond(m542,a3,a12,1).
bond(m542,a4,a13,1).
bond(m542,a4,a14,1).
bond(m542,a4,a15,1).
bond(m542,a5,a6,1).
bond(m542,a5,a16,1).
bond(m542,a5,a17,1).
bond(m542,a6,a18,1).
bond(m542,a6,a19,1).
atm(m543,a1,c,c3,8.720,1.097,0.002,-0.005).
atm(m543,a2,c,c3,9.415,-0.004,-0.803,-0.121).
atm(m543,a3,c,c2,9.625,2.290,0.185,-0.133).
atm(m543,a4,c,c2,10.615,2.602,-0.642,-0.177).
atm(m543,a5,c,c3,7.461,1.578,-0.753,-0.092).
atm(m543,a6,c,c3,6.164,1.095,-0.131,-0.105).
atm(m543,a7,c,c3,6.048,1.594,1.308,-0.043).
atm(m543,a8,c,c3,4.803,1.049,2.058,-0.015).
atm(m543,a9,c,c3,4.839,-0.488,2.053,-0.140).
atm(m543,a10,c,c3,3.527,1.480,1.320,-0.120).
atm(m543,a11,c,c3,2.294,1.152,2.143,-0.046).
atm(m543,a12,c,c3,2.320,1.812,3.451,-0.240).
atm(m543,a13,c,c3,3.589,2.401,3.976,-0.008).
atm(m543,a14,c,c2,3.603,3.865,3.495,0.363).
atm(m543,a15,o,o2,4.258,4.398,2.625,-0.338).
atm(m543,a16,o,o3,2.771,4.780,4.052,-0.278).
atm(m543,a17,c,c3,3.547,2.385,5.514,-0.131).
atm(m543,a18,c,c3,4.805,1.538,3.541,-0.050).
atm(m543,a19,c,c3,6.116,2.213,3.977,-0.079).
atm(m543,a20,c,c2,7.305,1.545,3.392,-0.165).
atm(m543,a21,c,c2,7.281,1.242,2.086,-0.109).
atm(m543,a22,c,c3,8.380,0.522,1.391,-0.046).
atm(m543,a23,h,h,10.202,-0.494,-0.215,0.043).
atm(m543,a24,h,h,8.705,-0.779,-1.120,0.044).
atm(m543,a25,h,h,9.894,0.411,-1.705,0.049).
atm(m543,a26,h,h,9.391,2.918,1.054,0.106).
atm(m543,a27,h,h,11.246,3.474,-0.507,0.083).
atm(m543,a28,h,h,10.854,1.991,-1.514,0.087).
atm(m543,a29,h,h,7.507,1.252,-1.812,0.053).
atm(m543,a30,h,h,7.447,2.687,-0.791,0.061).
atm(m543,a31,h,h,6.094,-0.016,-0.155,0.060).
atm(m543,a32,h,h,5.304,1.461,-0.727,0.055).
atm(m543,a33,h,h,5.969,2.713,1.285,0.099).
atm(m543,a34,h,h,5.623,-0.884,2.713,0.052).
atm(m543,a35,h,h,3.870,-0.901,2.376,0.046).
atm(m543,a36,h,h,5.049,-0.870,1.039,0.053).
atm(m543,a37,h,h,3.470,0.964,0.340,0.061).
atm(m543,a38,h,h,3.561,2.562,1.082,0.082).
atm(m543,a39,h,h,2.249,0.053,2.323,0.074).
atm(m543,a40,h,h,1.370,1.428,1.600,0.067).
atm(m543,a41,h,h,1.419,1.844,4.067,0.111).
atm(m543,a42,h,h,2.279,4.385,4.766,0.199).
atm(m543,a43,h,h,3.282,1.389,5.891,0.058).
atm(m543,a44,h,h,4.535,2.644,5.929,0.064).
atm(m543,a45,h,h,2.805,3.092,5.917,0.039).
atm(m543,a46,h,h,4.717,0.610,4.167,0.070).
atm(m543,a47,h,h,6.152,2.227,5.089,0.053).
atm(m543,a48,h,h,6.145,3.279,3.668,0.083).
atm(m543,a49,h,h,8.162,1.334,4.036,0.108).
atm(m543,a50,h,h,9.295,0.503,2.018,0.059).
atm(m543,a51,h,h,8.060,-0.538,1.290,0.060).
bond(m543,a1,a2,1).
bond(m543,a1,a3,1).
bond(m543,a1,a5,1).
bond(m543,a1,a22,1).
bond(m543,a2,a23,1).
bond(m543,a2,a24,1).
bond(m543,a2,a25,1).
bond(m543,a3,a4,2).
bond(m543,a3,a26,1).
bond(m543,a4,a27,1).
bond(m543,a4,a28,1).
bond(m543,a5,a6,1).
bond(m543,a5,a29,1).
bond(m543,a5,a30,1).
bond(m543,a6,a7,1).
bond(m543,a6,a31,1).
bond(m543,a6,a32,1).
bond(m543,a7,a8,1).
bond(m543,a7,a21,1).
bond(m543,a7,a33,1).
bond(m543,a8,a9,1).
bond(m543,a8,a10,1).
bond(m543,a8,a18,1).
bond(m543,a9,a34,1).
bond(m543,a9,a35,1).
bond(m543,a9,a36,1).
bond(m543,a10,a11,1).
bond(m543,a10,a37,1).
bond(m543,a10,a38,1).
bond(m543,a11,a12,1).
bond(m543,a11,a39,1).
bond(m543,a11,a40,1).
bond(m543,a12,a13,1).
bond(m543,a12,a41,1).
bond(m543,a13,a14,1).
bond(m543,a13,a17,1).
bond(m543,a13,a18,1).
bond(m543,a14,a15,2).
bond(m543,a14,a16,1).
bond(m543,a16,a42,1).
bond(m543,a17,a43,1).
bond(m543,a17,a44,1).
bond(m543,a17,a45,1).
bond(m543,a18,a19,1).
bond(m543,a18,a46,1).
bond(m543,a19,a20,1).
bond(m543,a19,a47,1).
bond(m543,a19,a48,1).
bond(m543,a20,a21,2).
bond(m543,a20,a49,1).
bond(m543,a21,a22,1).
bond(m543,a22,a50,1).
bond(m543,a22,a51,1).
atm(m544,a1,c,car,2.424,2.800,0.000,-0.042).
atm(m544,a2,n,npl3,1.202,3.523,0.001,0.092).
atm(m544,a3,c,car,3.642,3.503,0.064,-0.145).
atm(m544,a4,c,car,4.840,2.819,0.182,-0.047).
atm(m544,a5,c,car,4.843,1.424,0.233,-0.171).
atm(m544,a6,cl,cl,6.308,0.603,0.377,0.078).
atm(m544,a7,c,car,3.657,0.705,0.164,-0.038).
atm(m544,a8,c,car,2.445,1.391,0.044,-0.015).
atm(m544,a9,c,c1,1.242,0.633,-0.038,-0.093).
atm(m544,a10,n,n1,0.275,-0.004,-0.105,-0.063).
atm(m544,a11,h,h,1.294,4.425,-0.408,0.039).
atm(m544,a12,h,h,0.447,3.010,-0.396,0.044).
atm(m544,a13,h,h,3.651,4.599,0.025,0.118).
atm(m544,a14,h,h,5.789,3.365,0.236,0.118).
atm(m544,a15,h,h,3.677,-0.391,0.203,0.126).
bond(m544,a1,a2,1).
bond(m544,a1,a3,ar).
bond(m544,a1,a8,ar).
bond(m544,a2,a11,1).
bond(m544,a2,a12,1).
bond(m544,a3,a4,ar).
bond(m544,a3,a13,1).
bond(m544,a4,a5,ar).
bond(m544,a4,a14,1).
bond(m544,a5,a6,1).
bond(m544,a5,a7,ar).
bond(m544,a7,a8,ar).
bond(m544,a7,a15,1).
bond(m544,a8,a9,1).
bond(m544,a9,a10,3).
atm(m545,a1,c,c3,2.220,3.533,0.474,-0.129).
atm(m545,a2,cl,cl,3.484,3.250,-0.712,0.037).
atm(m545,a3,cl,cl,2.970,4.262,1.894,0.010).
atm(m545,a4,cl,cl,1.101,4.708,-0.200,0.037).
atm(m545,a5,c,c3,1.498,2.223,0.849,0.093).
atm(m545,a6,c,c3,0.394,2.501,1.876,-0.165).
atm(m545,a7,o,o3,0.947,1.763,-0.378,-0.296).
atm(m545,a8,c,c3,2.500,1.210,1.414,-0.165).
atm(m545,a9,h,h,0.815,2.928,2.796,0.066).
atm(m545,a10,h,h,-0.135,1.578,2.148,0.054).
atm(m545,a11,h,h,0.493,0.954,-0.185,0.200).
atm(m545,a12,h,h,2.980,1.598,2.322,0.066).
atm(m545,a13,h,h,3.289,0.978,0.686,0.069).
atm(m545,a14,h,h,-0.349,3.209,1.484,0.069).
atm(m545,a15,h,h,2.003,0.267,1.678,0.053).
bond(m545,a1,a2,1).
bond(m545,a1,a3,1).
bond(m545,a1,a4,1).
bond(m545,a1,a5,1).
bond(m545,a5,a6,1).
bond(m545,a5,a7,1).
bond(m545,a5,a8,1).
bond(m545,a6,a14,1).
bond(m545,a6,a9,1).
bond(m545,a6,a10,1).
bond(m545,a7,a11,1).
bond(m545,a8,a12,1).
bond(m545,a8,a13,1).
bond(m545,a8,a15,1).
atm(m546,a1,c,c3,0.000,0.000,0.000,-0.109).
atm(m546,a2,c,c3,0.837,1.135,0.546,-0.098).
atm(m546,a3,c,c3,2.216,1.168,-0.094,-0.103).
atm(m546,a4,c,c3,3.055,2.309,0.456,-0.102).
atm(m546,a5,c,c3,4.433,2.341,-0.186,-0.102).
atm(m546,a6,c,c3,5.272,3.483,0.364,-0.102).
atm(m546,a7,c,c3,6.651,3.512,-0.276,-0.101).
atm(m546,a8,c,c3,7.489,4.656,0.271,-0.107).
atm(m546,a9,c,c3,8.869,4.682,-0.368,-0.090).
atm(m546,a10,c,c3,9.739,5.803,0.178,-0.153).
atm(m546,a11,c,c2,9.298,7.167,-0.322,0.277).
atm(m546,a12,o,o2,9.458,7.512,-1.478,-0.313).
atm(m546,a13,c,c3,8.662,8.069,0.700,-0.172).
atm(m546,a14,h,h,0.470,-0.975,0.185,0.038).
atm(m546,a15,h,h,-0.994,-0.021,0.464,0.037).
atm(m546,a16,h,h,-0.146,0.090,-1.085,0.038).
atm(m546,a17,h,h,0.320,2.101,0.378,0.049).
atm(m546,a18,h,h,0.934,1.038,1.646,0.048).
atm(m546,a19,h,h,2.733,0.201,0.075,0.051).
atm(m546,a20,h,h,2.119,1.264,-1.194,0.051).
atm(m546,a21,h,h,2.537,3.275,0.288,0.051).
atm(m546,a22,h,h,3.152,2.212,1.556,0.050).
atm(m546,a23,h,h,4.951,1.375,-0.018,0.051).
atm(m546,a24,h,h,4.336,2.438,-1.286,0.052).
atm(m546,a25,h,h,4.755,4.449,0.193,0.051).
atm(m546,a26,h,h,5.367,3.388,1.464,0.050).
atm(m546,a27,h,h,7.168,2.547,-0.104,0.052).
atm(m546,a28,h,h,6.556,3.606,-1.377,0.055).
atm(m546,a29,h,h,6.972,5.622,0.097,0.052).
atm(m546,a30,h,h,7.582,4.565,1.373,0.050).
atm(m546,a31,h,h,9.376,3.712,-0.191,0.053).
atm(m546,a32,h,h,8.778,4.774,-1.469,0.067).
atm(m546,a33,h,h,9.735,5.786,1.286,0.063).
atm(m546,a34,h,h,10.792,5.633,-0.122,0.073).
atm(m546,a35,h,h,7.786,7.579,1.145,0.064).
atm(m546,a36,h,h,9.370,8.285,1.511,0.062).
atm(m546,a37,h,h,8.334,9.028,0.278,0.067).
bond(m546,a1,a2,1).
bond(m546,a1,a14,1).
bond(m546,a1,a15,1).
bond(m546,a1,a16,1).
bond(m546,a2,a3,1).
bond(m546,a2,a17,1).
bond(m546,a2,a18,1).
bond(m546,a3,a4,1).
bond(m546,a3,a19,1).
bond(m546,a3,a20,1).
bond(m546,a4,a5,1).
bond(m546,a4,a21,1).
bond(m546,a4,a22,1).
bond(m546,a5,a6,1).
bond(m546,a5,a23,1).
bond(m546,a5,a24,1).
bond(m546,a6,a7,1).
bond(m546,a6,a25,1).
bond(m546,a6,a26,1).
bond(m546,a7,a8,1).
bond(m546,a7,a27,1).
bond(m546,a7,a28,1).
bond(m546,a8,a9,1).
bond(m546,a8,a29,1).
bond(m546,a8,a30,1).
bond(m546,a9,a10,1).
bond(m546,a9,a31,1).
bond(m546,a9,a32,1).
bond(m546,a10,a11,1).
bond(m546,a10,a33,1).
bond(m546,a10,a34,1).
bond(m546,a11,a12,2).
bond(m546,a11,a13,1).
bond(m546,a13,a35,1).
bond(m546,a13,a36,1).
bond(m546,a13,a37,1).
atm(m547,a1,c,car,4.901,0.000,0.000,-0.032).
atm(m547,a2,c,car,4.188,1.204,0.000,-0.148).
atm(m547,a3,c,c2,2.733,1.221,0.000,0.037).
atm(m547,a4,c,c2,1.992,0.103,0.000,-0.303).
atm(m547,a5,c,c2,0.520,0.099,0.000,0.321).
atm(m547,a6,o,o2,-0.166,1.099,0.000,-0.332).
atm(m547,a7,c,car,4.900,2.408,-0.001,-0.023).
atm(m547,a8,c,car,6.285,2.413,-0.001,-0.194).
atm(m547,a9,c,car,7.003,1.201,-0.001,0.022).
atm(m547,a10,n,npl3,8.417,1.201,0.000,0.013).
atm(m547,a11,c,c3,9.182,-0.057,0.000,-0.070).
atm(m547,a12,c,c3,9.183,2.457,-0.001,-0.070).
atm(m547,a13,c,car,6.285,-0.011,0.000,-0.191).
atm(m547,a14,h,h,4.333,-0.944,0.000,0.105).
atm(m547,a15,h,h,2.254,2.211,-0.001,0.109).
atm(m547,a16,h,h,2.490,-0.880,0.001,0.115).
atm(m547,a17,h,h,0.037,-0.892,0.001,0.040).
atm(m547,a18,h,h,4.357,3.361,-0.001,0.102).
atm(m547,a19,h,h,6.804,3.379,-0.001,0.116).
atm(m547,a20,h,h,10.259,0.165,0.000,0.051).
atm(m547,a21,h,h,8.957,-0.662,0.891,0.041).
atm(m547,a22,h,h,8.957,-0.662,-0.891,0.041).
atm(m547,a23,h,h,10.259,2.235,-0.001,0.051).
atm(m547,a24,h,h,8.959,3.062,-0.893,0.042).
atm(m547,a25,h,h,8.958,3.063,0.889,0.042).
atm(m547,a26,h,h,6.801,-0.978,0.000,0.115).
bond(m547,a1,a2,ar).
bond(m547,a1,a13,ar).
bond(m547,a1,a14,1).
bond(m547,a2,a3,1).
bond(m547,a2,a7,ar).
bond(m547,a3,a4,2).
bond(m547,a3,a15,1).
bond(m547,a4,a5,1).
bond(m547,a4,a16,1).
bond(m547,a5,a6,2).
bond(m547,a5,a17,1).
bond(m547,a7,a8,ar).
bond(m547,a7,a18,1).
bond(m547,a8,a9,ar).
bond(m547,a8,a19,1).
bond(m547,a9,a10,1).
bond(m547,a9,a13,ar).
bond(m547,a10,a11,1).
bond(m547,a10,a12,1).
bond(m547,a11,a20,1).
bond(m547,a11,a21,1).
bond(m547,a11,a22,1).
bond(m547,a12,a23,1).
bond(m547,a12,a24,1).
bond(m547,a12,a25,1).
bond(m547,a13,a26,1).
atm(m548,a1,c,c3,2.424,0.000,0.000,-0.198).
atm(m548,a2,c,c2,1.129,0.812,0.000,0.371).
atm(m548,a3,o,o2,1.034,2.023,0.002,-0.315).
atm(m548,a4,o,o3,-0.064,0.210,-0.004,-0.197).
atm(m548,a5,n,n4,3.696,0.789,0.005,0.495).
atm(m548,a6,c,car,3.715,2.160,0.010,-0.196).
atm(m548,a7,c,car,4.929,2.845,0.015,-0.056).
atm(m548,a8,c,car,6.128,2.139,0.014,0.013).
atm(m548,a9,c,car,6.096,0.740,0.009,-0.053).
atm(m548,a10,c,car,4.880,0.073,0.004,-0.195).
atm(m548,a11,h,h,2.427,-0.670,0.890,0.121).
atm(m548,a12,h,h,2.431,-0.665,-0.894,0.121).
atm(m548,a13,h,h,0.005,-0.738,-0.006,0.216).
atm(m548,a14,h,h,2.717,2.690,0.010,0.238).
atm(m548,a15,h,h,4.918,3.945,0.020,0.160).
atm(m548,a16,h,h,7.090,2.671,0.018,0.150).
atm(m548,a17,h,h,7.030,0.160,0.008,0.156).
atm(m548,a18,h,h,4.835,-1.029,-0.001,0.169).
bond(m548,a1,a2,1).
bond(m548,a1,a5,1).
bond(m548,a1,a11,1).
bond(m548,a1,a12,1).
bond(m548,a2,a3,2).
bond(m548,a2,a4,1).
bond(m548,a4,a13,1).
bond(m548,a5,a6,ar).
bond(m548,a5,a10,ar).
bond(m548,a6,a7,ar).
bond(m548,a6,a14,1).
bond(m548,a7,a8,ar).
bond(m548,a7,a15,1).
bond(m548,a8,a9,ar).
bond(m548,a8,a16,1).
bond(m548,a9,a10,ar).
bond(m548,a9,a17,1).
bond(m548,a10,a18,1).
atm(m549,a1,cl,cl,6.066,4.202,0.000,0.203).
atm(m549,a2,c,car,4.624,3.364,0.000,0.005).
atm(m549,a3,c,car,4.515,1.960,0.000,-0.464).
atm(m549,a4,n,n4,5.766,1.117,0.000,1.318).
atm(m549,a5,o,oco2,6.851,1.661,0.000,-0.591).
atm(m549,a6,o,oco2,5.689,-0.094,0.000,-0.591).
atm(m549,a7,c,car,3.227,1.375,0.000,0.023).
atm(m549,a8,cl,cl,3.077,-0.278,0.000,0.273).
atm(m549,a9,c,car,2.064,2.181,0.000,-0.464).
atm(m549,a10,n,n4,0.682,1.576,0.000,1.318).
atm(m549,a11,o,oco2,-0.287,2.306,0.000,-0.591).
atm(m549,a12,o,oco2,0.541,0.372,0.000,-0.591).
atm(m549,a13,c,car,2.209,3.582,0.000,0.005).
atm(m549,a14,cl,cl,0.941,4.665,0.000,0.203).
atm(m549,a15,c,car,3.478,4.152,0.000,-0.204).
atm(m549,a16,h,h,3.577,5.247,0.000,0.147).
bond(m549,a1,a2,1).
bond(m549,a2,a3,ar).
bond(m549,a2,a15,ar).
bond(m549,a3,a4,1).
bond(m549,a3,a7,ar).
bond(m549,a4,a5,2).
bond(m549,a4,a6,1).
bond(m549,a7,a8,1).
bond(m549,a7,a9,ar).
bond(m549,a9,a10,1).
bond(m549,a9,a13,ar).
bond(m549,a10,a11,2).
bond(m549,a10,a12,1).
bond(m549,a13,a14,1).
bond(m549,a13,a15,ar).
bond(m549,a15,a16,1).
atm(m54,a1,s,s3,-0.677,0.488,0.462,0.039).
atm(m54,a2,c,c2,0.794,1.255,-0.084,-0.102).
atm(m54,a3,n,n2,0.798,2.489,-0.490,-0.077).
atm(m54,a4,c,c2,1.983,3.096,-1.081,0.261).
atm(m54,a5,c,c3,3.358,2.613,-0.584,-0.068).
atm(m54,a6,c,c3,3.621,3.149,0.855,-0.057).
atm(m54,a7,c,c3,5.019,2.806,1.351,-0.138).
atm(m54,a8,c,c3,3.378,4.654,1.008,-0.128).
atm(m54,a9,c,c3,3.333,5.053,2.477,-0.103).
atm(m54,a10,c,c3,3.278,6.554,2.640,-0.109).
atm(m54,a11,c,c3,4.470,2.922,-1.606,-0.086).
atm(m54,a12,c,c3,4.813,4.376,-1.835,-0.132).
atm(m54,a13,c,c2,3.252,1.072,-0.470,0.231).
atm(m54,a14,n,nam,2.008,0.491,-0.060,-0.016).
atm(m54,a15,o,o2,4.153,0.273,-0.643,-0.316).
atm(m54,a16,o,o2,1.756,3.918,-1.934,-0.236).
atm(m54,a17,h,h,2.889,2.634,1.531,0.066).
atm(m54,a18,h,h,5.194,1.723,1.377,0.057).
atm(m54,a19,h,h,5.804,3.255,0.727,0.057).
atm(m54,a20,h,h,5.154,3.198,2.374,0.059).
atm(m54,a21,h,h,4.179,5.222,0.485,0.075).
atm(m54,a22,h,h,2.431,4.953,0.516,0.066).
atm(m54,a23,h,h,2.459,4.585,2.971,0.052).
atm(m54,a24,h,h,4.227,4.635,2.994,0.056).
atm(m54,a25,h,h,4.161,7.043,2.207,0.039).
atm(m54,a26,h,h,2.394,6.981,2.148,0.043).
atm(m54,a27,h,h,3.233,6.836,3.700,0.041).
atm(m54,a28,h,h,5.392,2.390,-1.288,0.079).
atm(m54,a29,h,h,4.180,2.465,-2.575,0.061).
atm(m54,a30,h,h,3.971,4.955,-2.237,0.063).
atm(m54,a31,h,h,5.140,4.877,-0.910,0.052).
atm(m54,a32,h,h,5.636,4.458,-2.557,0.048).
atm(m54,a33,h,h,1.911,-0.504,-0.079,0.127).
bond(m54,a1,a2,1).
bond(m54,a2,a3,2).
bond(m54,a2,a14,1).
bond(m54,a3,a4,1).
bond(m54,a4,a5,1).
bond(m54,a4,a16,2).
bond(m54,a5,a6,1).
bond(m54,a5,a11,1).
bond(m54,a5,a13,1).
bond(m54,a6,a7,1).
bond(m54,a6,a8,1).
bond(m54,a6,a17,1).
bond(m54,a7,a18,1).
bond(m54,a7,a19,1).
bond(m54,a7,a20,1).
bond(m54,a8,a9,1).
bond(m54,a8,a21,1).
bond(m54,a8,a22,1).
bond(m54,a9,a10,1).
bond(m54,a9,a23,1).
bond(m54,a9,a24,1).
bond(m54,a10,a25,1).
bond(m54,a10,a26,1).
bond(m54,a10,a27,1).
bond(m54,a11,a12,1).
bond(m54,a11,a28,1).
bond(m54,a11,a29,1).
bond(m54,a12,a30,1).
bond(m54,a12,a31,1).
bond(m54,a12,a32,1).
bond(m54,a13,a14,1).
bond(m54,a13,a15,2).
bond(m54,a14,a33,1).
atm(m550,a1,cl,cl,4.206,0.000,0.000,0.110).
atm(m550,a2,c,car,3.365,1.455,0.000,-0.041).
atm(m550,a3,c,car,1.972,1.405,0.001,-0.146).
atm(m550,a4,c,car,1.233,2.580,0.001,0.030).
atm(m550,a5,c,car,1.891,3.816,0.001,-0.429).
atm(m550,a6,n,n4,1.095,5.088,0.002,1.308).
atm(m550,a7,o,oco2,1.674,6.154,0.002,-0.590).
atm(m550,a8,o,oco2,-0.119,5.025,0.002,-0.598).
atm(m550,a9,c,car,3.289,3.864,0.001,0.063).
atm(m550,a10,c,car,4.035,2.684,0.000,-0.222).
atm(m550,a11,c,c2,5.524,2.733,-0.001,0.320).
atm(m550,a12,o,o2,6.150,3.766,-0.001,-0.291).
atm(m550,a13,h,h,1.463,0.434,0.001,0.132).
atm(m550,a14,h,h,0.135,2.526,0.002,0.137).
atm(m550,a15,h,h,3.820,4.831,0.000,0.152).
atm(m550,a16,h,h,6.046,1.761,-0.002,0.064).
bond(m550,a1,a2,1).
bond(m550,a2,a3,ar).
bond(m550,a2,a10,ar).
bond(m550,a3,a4,ar).
bond(m550,a3,a13,1).
bond(m550,a4,a5,ar).
bond(m550,a4,a14,1).
bond(m550,a5,a6,1).
bond(m550,a5,a9,ar).
bond(m550,a6,a7,2).
bond(m550,a6,a8,1).
bond(m550,a9,a10,ar).
bond(m550,a9,a15,1).
bond(m550,a10,a11,1).
bond(m550,a11,a12,2).
bond(m550,a11,a16,1).
atm(m551,a1,n,n1,0.000,2.425,0.000,-0.051).
atm(m551,a2,c,c1,1.160,2.424,0.000,-0.096).
atm(m551,a3,c,car,2.585,2.421,0.000,0.026).
atm(m551,a4,c,car,3.276,3.639,0.000,-0.103).
atm(m551,a5,cl,cl,2.441,5.098,0.001,0.101).
atm(m551,a6,c,car,4.669,3.658,0.000,-0.116).
atm(m551,a7,c,car,5.372,2.459,-0.001,-0.063).
atm(m551,a8,c,car,4.692,1.246,-0.001,-0.111).
atm(m551,a9,c,car,3.296,1.210,-0.001,-0.024).
atm(m551,a10,c,c3,2.588,-0.096,-0.001,-0.078).
atm(m551,a11,h,h,5.198,4.617,0.001,0.122).
atm(m551,a12,h,h,6.467,2.471,-0.001,0.109).
atm(m551,a13,h,h,5.258,0.307,-0.002,0.114).
atm(m551,a14,h,h,3.284,-0.945,-0.002,0.051).
atm(m551,a15,h,h,1.946,-0.195,0.885,0.060).
atm(m551,a16,h,h,1.946,-0.194,-0.888,0.060).
bond(m551,a1,a2,3).
bond(m551,a2,a3,1).
bond(m551,a3,a4,ar).
bond(m551,a3,a9,ar).
bond(m551,a4,a5,1).
bond(m551,a4,a6,ar).
bond(m551,a6,a7,ar).
bond(m551,a6,a11,1).
bond(m551,a7,a8,ar).
bond(m551,a7,a12,1).
bond(m551,a8,a9,ar).
bond(m551,a8,a13,1).
bond(m551,a9,a10,1).
bond(m551,a10,a14,1).
bond(m551,a10,a15,1).
bond(m551,a10,a16,1).
atm(m552,a1,n,nar,2.102,0.000,0.000,0.011).
atm(m552,a2,c,car,1.436,1.154,0.000,-0.143).
atm(m552,a3,br,br,-0.432,1.149,0.000,0.057).
atm(m552,a4,c,car,2.056,2.409,-0.001,0.080).
atm(m552,a5,o,o3,1.216,3.479,-0.001,-0.193).
atm(m552,a6,c,car,3.455,2.457,-0.001,-0.161).
atm(m552,a7,c,car,4.152,1.249,-0.001,-0.097).
atm(m552,a8,c,car,3.460,0.038,0.000,-0.110).
atm(m552,a9,h,h,1.745,4.267,-0.002,0.197).
atm(m552,a10,h,h,3.993,3.411,-0.002,0.118).
atm(m552,a11,h,h,5.247,1.251,-0.001,0.114).
atm(m552,a12,h,h,3.966,-0.934,0.000,0.126).
bond(m552,a1,a2,ar).
bond(m552,a1,a8,ar).
bond(m552,a2,a3,1).
bond(m552,a2,a4,ar).
bond(m552,a4,a5,1).
bond(m552,a4,a6,ar).
bond(m552,a5,a9,1).
bond(m552,a6,a7,ar).
bond(m552,a6,a10,1).
bond(m552,a7,a8,ar).
bond(m552,a7,a11,1).
bond(m552,a8,a12,1).
atm(m553,a1,n,nar,2.102,0.000,0.000,-0.033).
atm(m553,a2,c,car,1.425,1.172,0.000,-0.146).
atm(m553,a3,cl,cl,-0.260,1.102,0.000,0.126).
atm(m553,a4,c,car,2.110,2.404,0.000,0.058).
atm(m553,a5,o,o3,1.344,3.533,0.000,-0.207).
atm(m553,a6,c,car,3.512,2.410,-0.001,-0.153).
atm(m553,a7,c,car,4.183,1.192,-0.001,-0.109).
atm(m553,a8,c,car,3.453,0.002,0.000,-0.092).
atm(m553,a9,h,h,1.928,4.281,-0.001,0.201).
atm(m553,a10,h,h,4.073,3.351,-0.001,0.116).
atm(m553,a11,h,h,5.277,1.165,-0.001,0.115).
atm(m553,a12,h,h,3.929,-0.985,0.000,0.124).
bond(m553,a1,a2,ar).
bond(m553,a1,a8,ar).
bond(m553,a2,a3,1).
bond(m553,a2,a4,ar).
bond(m553,a4,a5,1).
bond(m553,a4,a6,ar).
bond(m553,a5,a9,1).
bond(m553,a6,a7,ar).
bond(m553,a6,a10,1).
bond(m553,a7,a8,ar).
bond(m553,a7,a11,1).
bond(m553,a8,a12,1).
atm(m554,a1,c,c1,6.054,3.496,0.000,-0.176).
atm(m554,a2,c,c1,5.007,2.929,-0.004,-0.187).
atm(m554,a3,c,c3,3.726,2.262,0.001,0.073).
atm(m554,a4,n,n3,3.903,0.780,0.045,-0.078).
atm(m554,a5,c,c3,4.468,0.198,-1.199,0.070).
atm(m554,a6,c,c1,3.676,0.377,-2.395,-0.217).
atm(m554,a7,c,c1,3.048,0.513,-3.398,-0.166).
atm(m554,a8,c,c3,2.742,0.055,0.623,0.076).
atm(m554,a9,c,c1,1.466,0.299,-0.010,-0.222).
atm(m554,a10,c,c1,0.399,0.483,-0.509,-0.162).
atm(m554,a11,h,h,6.990,4.003,0.003,0.195).
atm(m554,a12,h,h,3.158,2.582,0.897,0.067).
atm(m554,a13,h,h,3.143,2.583,-0.890,0.058).
atm(m554,a14,h,h,5.461,0.670,-1.352,0.075).
atm(m554,a15,h,h,4.638,-0.885,-1.033,0.067).
atm(m554,a16,h,h,2.486,0.635,-4.294,0.195).
atm(m554,a17,h,h,2.959,-1.032,0.595,0.068).
atm(m554,a18,h,h,2.673,0.347,1.691,0.067).
atm(m554,a19,h,h,-0.553,0.648,-0.956,0.196).
bond(m554,a1,a2,3).
bond(m554,a1,a11,1).
bond(m554,a2,a3,1).
bond(m554,a3,a4,1).
bond(m554,a3,a12,1).
bond(m554,a3,a13,1).
bond(m554,a4,a5,1).
bond(m554,a4,a8,1).
bond(m554,a5,a6,1).
bond(m554,a5,a14,1).
bond(m554,a5,a15,1).
bond(m554,a6,a7,3).
bond(m554,a7,a16,1).
bond(m554,a8,a9,1).
bond(m554,a8,a17,1).
bond(m554,a8,a18,1).
bond(m554,a9,a10,3).
bond(m554,a10,a19,1).
atm(m555,a1,c,c3,7.288,6.304,0.000,-0.133).
atm(m555,a2,c,c3,7.420,4.794,-0.053,0.048).
atm(m555,a3,o,o3,8.323,4.356,0.951,-0.277).
atm(m555,a4,c,c3,7.797,3.478,1.920,0.185).
atm(m555,a5,o,o3,8.826,3.622,2.865,-0.258).
atm(m555,a6,c,c3,8.608,4.635,3.842,0.069).
atm(m555,a7,c,c3,9.868,4.717,4.680,-0.121).
atm(m555,a8,c,c3,7.681,1.989,1.490,-0.100).
atm(m555,a9,n,n3,8.686,1.370,0.599,-0.066).
atm(m555,a10,c,c3,8.552,1.726,-0.831,-0.117).
atm(m555,a11,c,c3,10.093,1.392,1.088,-0.119).
atm(m555,a12,c,c3,10.750,0.005,0.839,0.190).
atm(m555,a13,o,o3,11.943,0.098,0.083,-0.279).
atm(m555,a14,c,c3,11.766,0.016,-1.322,0.054).
atm(m555,a15,c,c3,13.096,0.346,-1.970,-0.119).
atm(m555,a16,o,o3,11.354,-0.416,2.043,-0.254).
atm(m555,a17,c,c3,11.392,-1.813,2.261,0.062).
atm(m555,a18,c,c3,10.065,-2.380,2.737,-0.151).
atm(m555,a19,h,h,8.261,6.803,-0.100,0.053).
atm(m555,a20,h,h,6.645,6.663,-0.814,0.043).
atm(m555,a21,h,h,6.847,6.641,0.948,0.042).
atm(m555,a22,h,h,6.428,4.306,0.021,0.034).
atm(m555,a23,h,h,7.887,4.443,-0.997,0.050).
atm(m555,a24,h,h,6.798,3.819,2.297,0.040).
atm(m555,a25,h,h,8.386,5.604,3.354,0.036).
atm(m555,a26,h,h,7.728,4.366,4.460,0.022).
atm(m555,a27,h,h,10.744,4.992,4.077,0.054).
atm(m555,a28,h,h,9.753,5.475,5.465,0.041).
atm(m555,a29,h,h,10.099,3.762,5.171,0.050).
atm(m555,a30,h,h,7.661,1.366,2.407,0.074).
atm(m555,a31,h,h,6.699,1.856,0.992,0.056).
atm(m555,a32,h,h,7.576,1.376,-1.193,0.040).
atm(m555,a33,h,h,8.628,2.807,-1.049,0.045).
atm(m555,a34,h,h,9.339,1.209,-1.406,0.053).
atm(m555,a35,h,h,10.680,2.200,0.599,0.073).
atm(m555,a36,h,h,10.105,1.624,2.174,0.096).
atm(m555,a37,h,h,10.031,-0.738,0.412,0.060).
atm(m555,a38,h,h,11.431,-1.006,-1.588,0.023).
atm(m555,a39,h,h,10.969,0.718,-1.656,0.033).
atm(m555,a40,h,h,13.429,1.363,-1.725,0.049).
atm(m555,a41,h,h,13.890,-0.341,-1.650,0.049).
atm(m555,a42,h,h,13.016,0.276,-3.062,0.038).
atm(m555,a43,h,h,11.757,-2.351,1.366,0.038).
atm(m555,a44,h,h,12.168,-1.886,3.043,0.055).
atm(m555,a45,h,h,9.682,-1.844,3.616,0.050).
atm(m555,a46,h,h,9.290,-2.326,1.961,0.043).
atm(m555,a47,h,h,10.179,-3.434,3.016,0.043).
bond(m555,a1,a2,1).
bond(m555,a1,a19,1).
bond(m555,a1,a20,1).
bond(m555,a1,a21,1).
bond(m555,a2,a3,1).
bond(m555,a2,a22,1).
bond(m555,a2,a23,1).
bond(m555,a3,a4,1).
bond(m555,a4,a5,1).
bond(m555,a4,a8,1).
bond(m555,a4,a24,1).
bond(m555,a5,a6,1).
bond(m555,a6,a7,1).
bond(m555,a6,a25,1).
bond(m555,a6,a26,1).
bond(m555,a7,a27,1).
bond(m555,a7,a28,1).
bond(m555,a7,a29,1).
bond(m555,a8,a9,1).
bond(m555,a8,a30,1).
bond(m555,a8,a31,1).
bond(m555,a9,a10,1).
bond(m555,a9,a11,1).
bond(m555,a10,a32,1).
bond(m555,a10,a33,1).
bond(m555,a10,a34,1).
bond(m555,a11,a12,1).
bond(m555,a11,a35,1).
bond(m555,a11,a36,1).
bond(m555,a12,a13,1).
bond(m555,a12,a16,1).
bond(m555,a12,a37,1).
bond(m555,a13,a14,1).
bond(m555,a14,a15,1).
bond(m555,a14,a38,1).
bond(m555,a14,a39,1).
bond(m555,a15,a40,1).
bond(m555,a15,a41,1).
bond(m555,a15,a42,1).
bond(m555,a16,a17,1).
bond(m555,a17,a18,1).
bond(m555,a17,a43,1).
bond(m555,a17,a44,1).
bond(m555,a18,a45,1).
bond(m555,a18,a46,1).
bond(m555,a18,a47,1).
atm(m556,a1,n,n3,12.111,2.095,0.000,-0.036).
atm(m556,a2,c,c3,10.828,2.827,-0.085,-0.101).
atm(m556,a3,c,c3,9.651,1.882,0.129,-0.114).
atm(m556,a4,c,c3,8.333,2.628,-0.056,-0.074).
atm(m556,a5,n,n3,7.168,1.707,0.096,-0.081).
atm(m556,a6,c,c3,7.115,0.632,-0.933,-0.098).
atm(m556,a7,c,c3,6.292,0.997,-2.164,-0.091).
atm(m556,a8,n,n3,4.885,1.363,-1.818,-0.083).
atm(m556,a9,c,c3,4.335,2.396,-2.746,-0.070).
atm(m556,a10,c,c3,2.822,2.514,-2.601,-0.141).
atm(m556,a11,c,c3,2.285,3.622,-3.503,-0.109).
atm(m556,a12,n,n3,0.823,3.797,-3.450,-0.033).
atm(m556,a13,c,c3,4.707,1.697,-0.379,-0.096).
atm(m556,a14,c,c3,5.882,2.455,0.230,-0.091).
atm(m556,a15,h,h,12.865,2.744,-0.078,0.024).
atm(m556,a16,h,h,12.175,1.625,0.879,0.024).
atm(m556,a17,h,h,10.765,3.672,0.636,0.027).
atm(m556,a18,h,h,10.779,3.283,-1.095,0.054).
atm(m556,a19,h,h,9.699,1.027,-0.584,0.070).
atm(m556,a20,h,h,9.696,1.429,1.140,0.063).
atm(m556,a21,h,h,8.234,3.420,0.713,0.054).
atm(m556,a22,h,h,8.318,3.142,-1.043,0.035).
atm(m556,a23,h,h,6.702,-0.264,-0.428,0.071).
atm(m556,a24,h,h,8.156,0.370,-1.229,0.072).
atm(m556,a25,h,h,6.227,0.132,-2.852,0.063).
atm(m556,a26,h,h,6.799,1.810,-2.731,0.041).
atm(m556,a27,h,h,4.814,3.387,-2.582,0.035).
atm(m556,a28,h,h,4.593,2.089,-3.779,0.058).
atm(m556,a29,h,h,2.338,1.546,-2.846,0.064).
atm(m556,a30,h,h,2.566,2.714,-1.535,0.057).
atm(m556,a31,h,h,2.746,4.595,-3.237,0.058).
atm(m556,a32,h,h,2.560,3.427,-4.558,0.060).
atm(m556,a33,h,h,0.370,2.956,-3.741,0.024).
atm(m556,a34,h,h,0.540,4.006,-2.514,0.023).
atm(m556,a35,h,h,4.537,0.735,0.146,0.071).
atm(m556,a36,h,h,3.767,2.284,-0.264,0.067).
atm(m556,a37,h,h,5.950,3.471,-0.219,0.040).
atm(m556,a38,h,h,5.720,2.605,1.315,0.062).
bond(m556,a1,a2,1).
bond(m556,a1,a15,1).
bond(m556,a1,a16,1).
bond(m556,a2,a3,1).
bond(m556,a2,a17,1).
bond(m556,a2,a18,1).
bond(m556,a3,a4,1).
bond(m556,a3,a19,1).
bond(m556,a3,a20,1).
bond(m556,a4,a5,1).
bond(m556,a4,a21,1).
bond(m556,a4,a22,1).
bond(m556,a5,a6,1).
bond(m556,a5,a14,1).
bond(m556,a6,a7,1).
bond(m556,a6,a23,1).
bond(m556,a6,a24,1).
bond(m556,a7,a8,1).
bond(m556,a7,a25,1).
bond(m556,a7,a26,1).
bond(m556,a8,a9,1).
bond(m556,a8,a13,1).
bond(m556,a9,a10,1).
bond(m556,a9,a27,1).
bond(m556,a9,a28,1).
bond(m556,a10,a11,1).
bond(m556,a10,a29,1).
bond(m556,a10,a30,1).
bond(m556,a11,a12,1).
bond(m556,a11,a31,1).
bond(m556,a11,a32,1).
bond(m556,a12,a33,1).
bond(m556,a12,a34,1).
bond(m556,a13,a14,1).
bond(m556,a13,a35,1).
bond(m556,a13,a36,1).
bond(m556,a14,a37,1).
bond(m556,a14,a38,1).
atm(m557,a1,o,o3,10.910,2.795,0.000,-0.306).
atm(m557,a2,c,c3,9.494,2.664,0.026,0.137).
atm(m557,a3,c,c2,8.819,3.784,0.796,-0.171).
atm(m557,a4,c,c2,9.362,4.980,0.985,-0.155).
atm(m557,a5,c,c3,9.212,1.334,0.734,-0.125).
atm(m557,a6,c,c3,8.908,2.694,-1.410,-0.120).
atm(m557,a7,c,c3,9.560,1.743,-2.405,-0.069).
atm(m557,a8,c,c2,9.008,0.365,-2.315,-0.160).
atm(m557,a9,c,c2,8.184,-0.184,-3.217,-0.125).
atm(m557,a10,c,c3,7.700,-1.583,-3.067,-0.068).
atm(m557,a11,c,c3,7.701,0.549,-4.428,-0.061).
atm(m557,a12,c,c3,6.330,1.167,-4.179,-0.069).
atm(m557,a13,c,c2,5.855,1.913,-5.373,-0.158).
atm(m557,a14,c,c2,4.635,1.789,-5.912,-0.122).
atm(m557,a15,c,c3,4.233,2.589,-7.101,-0.069).
atm(m557,a16,c,c3,3.592,0.868,-5.388,-0.077).
atm(m557,a17,h,h,11.092,3.707,-0.200,0.190).
atm(m557,a18,h,h,7.821,3.545,1.184,0.107).
atm(m557,a19,h,h,8.868,5.777,1.531,0.087).
atm(m557,a20,h,h,10.351,5.239,0.605,0.078).
atm(m557,a21,h,h,9.651,1.313,1.740,0.053).
atm(m557,a22,h,h,8.132,1.166,0.834,0.045).
atm(m557,a23,h,h,9.626,0.484,0.168,0.061).
atm(m557,a24,h,h,7.820,2.489,-1.353,0.063).
atm(m557,a25,h,h,9.000,3.728,-1.799,0.049).
atm(m557,a26,h,h,9.412,2.139,-3.437,0.057).
atm(m557,a27,h,h,10.657,1.702,-2.252,0.071).
atm(m557,a28,h,h,9.321,-0.203,-1.423,0.111).
atm(m557,a29,h,h,8.026,-2.045,-2.126,0.042).
atm(m557,a30,h,h,6.602,-1.620,-3.092,0.044).
atm(m557,a31,h,h,8.070,-2.209,-3.890,0.045).
atm(m557,a32,h,h,8.430,1.347,-4.698,0.060).
atm(m557,a33,h,h,7.662,-0.139,-5.295,0.058).
atm(m557,a34,h,h,5.598,0.379,-3.887,0.063).
atm(m557,a35,h,h,6.381,1.865,-3.318,0.059).
atm(m557,a36,h,h,6.580,2.611,-5.814,0.101).
atm(m557,a37,h,h,5.024,3.271,-7.440,0.042).
atm(m557,a38,h,h,3.980,1.930,-7.943,0.044).
atm(m557,a39,h,h,3.345,3.195,-6.877,0.044).
atm(m557,a40,h,h,3.979,0.223,-4.582,0.050).
atm(m557,a41,h,h,2.744,1.436,-4.983,0.046).
atm(m557,a42,h,h,3.208,0.217,-6.184,0.046).
bond(m557,a1,a2,1).
bond(m557,a1,a17,1).
bond(m557,a2,a3,1).
bond(m557,a2,a5,1).
bond(m557,a2,a6,1).
bond(m557,a3,a4,2).
bond(m557,a3,a18,1).
bond(m557,a4,a19,1).
bond(m557,a4,a20,1).
bond(m557,a5,a21,1).
bond(m557,a5,a22,1).
bond(m557,a5,a23,1).
bond(m557,a6,a7,1).
bond(m557,a6,a24,1).
bond(m557,a6,a25,1).
bond(m557,a7,a8,1).
bond(m557,a7,a26,1).
bond(m557,a7,a27,1).
bond(m557,a8,a9,2).
bond(m557,a8,a28,1).
bond(m557,a9,a10,1).
bond(m557,a9,a11,1).
bond(m557,a10,a29,1).
bond(m557,a10,a30,1).
bond(m557,a10,a31,1).
bond(m557,a11,a12,1).
bond(m557,a11,a32,1).
bond(m557,a11,a33,1).
bond(m557,a12,a13,1).
bond(m557,a12,a34,1).
bond(m557,a12,a35,1).
bond(m557,a13,a14,2).
bond(m557,a13,a36,1).
bond(m557,a14,a15,1).
bond(m557,a14,a16,1).
bond(m557,a15,a37,1).
bond(m557,a15,a38,1).
bond(m557,a15,a39,1).
bond(m557,a16,a40,1).
bond(m557,a16,a41,1).
bond(m557,a16,a42,1).
atm(m558,a1,cl,cl,0.000,0.000,0.000,-0.071).
atm(m558,a2,c,c3,1.547,0.875,0.008,-0.081).
atm(m558,a3,c,c3,2.671,-0.145,0.006,-0.094).
atm(m558,a4,n,n3,3.997,0.530,-0.098,-0.081).
atm(m558,a5,c,c3,4.176,1.328,-1.349,-0.088).
atm(m558,a6,c,c3,5.078,0.530,-2.289,-0.112).
atm(m558,a7,c,c3,5.745,-0.545,-1.433,-0.114).
atm(m558,a8,c,c3,5.148,-0.421,-0.029,-0.074).
atm(m558,a9,h,h,1.595,1.524,-0.891,0.067).
atm(m558,a10,h,h,1.574,1.532,0.894,0.074).
atm(m558,a11,h,h,2.665,-0.720,0.952,0.068).
atm(m558,a12,h,h,2.511,-0.880,-0.812,0.049).
atm(m558,a13,h,h,4.646,2.284,-1.050,0.062).
atm(m558,a14,h,h,3.192,1.587,-1.798,0.061).
atm(m558,a15,h,h,5.822,1.183,-2.780,0.058).
atm(m558,a16,h,h,4.495,0.077,-3.113,0.052).
atm(m558,a17,h,h,6.843,-0.420,-1.408,0.057).
atm(m558,a18,h,h,5.574,-1.553,-1.854,0.052).
atm(m558,a19,h,h,4.850,-1.402,0.389,0.056).
atm(m558,a20,h,h,5.873,0.016,0.684,0.061).
bond(m558,a1,a2,1).
bond(m558,a2,a3,1).
bond(m558,a2,a9,1).
bond(m558,a2,a10,1).
bond(m558,a3,a4,1).
bond(m558,a3,a11,1).
bond(m558,a3,a12,1).
bond(m558,a4,a5,1).
bond(m558,a4,a8,1).
bond(m558,a5,a6,1).
bond(m558,a5,a13,1).
bond(m558,a5,a14,1).
bond(m558,a6,a7,1).
bond(m558,a6,a15,1).
bond(m558,a6,a16,1).
bond(m558,a7,a8,1).
bond(m558,a7,a17,1).
bond(m558,a7,a18,1).
bond(m558,a8,a19,1).
bond(m558,a8,a20,1).
atm(m559,a1,c,c3,13.358,0.695,0.000,-0.109).
atm(m559,a2,c,c3,12.047,-0.059,0.003,-0.098).
atm(m559,a3,c,c3,10.859,0.891,0.001,-0.103).
atm(m559,a4,c,c3,9.542,0.132,0.004,-0.102).
atm(m559,a5,c,c3,8.356,1.083,0.001,-0.102).
atm(m559,a6,c,c3,7.039,0.323,0.004,-0.102).
atm(m559,a7,c,c3,5.853,1.275,0.002,-0.102).
atm(m559,a8,c,c3,4.536,0.515,0.005,-0.102).
atm(m559,a9,c,c3,3.351,1.467,0.002,-0.098).
atm(m559,a10,c,c3,2.034,0.710,0.006,-0.131).
atm(m559,a11,c,c3,0.850,1.675,0.006,-0.112).
atm(m559,a12,n,n3,-0.471,1.023,0.009,-0.034).
atm(m559,a13,h,h,14.213,0.007,0.001,0.037).
atm(m559,a14,h,h,13.454,1.337,-0.886,0.038).
atm(m559,a15,h,h,13.456,1.341,0.882,0.038).
atm(m559,a16,h,h,11.994,-0.730,-0.878,0.048).
atm(m559,a17,h,h,11.995,-0.725,0.887,0.048).
atm(m559,a18,h,h,10.912,1.562,0.882,0.051).
atm(m559,a19,h,h,10.911,1.558,-0.884,0.051).
atm(m559,a20,h,h,9.491,-0.540,-0.877,0.051).
atm(m559,a21,h,h,9.491,-0.535,0.888,0.051).
atm(m559,a22,h,h,8.408,1.754,0.882,0.051).
atm(m559,a23,h,h,8.407,1.749,-0.883,0.051).
atm(m559,a24,h,h,6.988,-0.349,-0.876,0.051).
atm(m559,a25,h,h,6.988,-0.343,0.889,0.051).
atm(m559,a26,h,h,5.905,1.947,0.882,0.052).
atm(m559,a27,h,h,5.904,1.941,-0.883,0.052).
atm(m559,a28,h,h,4.485,-0.157,-0.875,0.051).
atm(m559,a29,h,h,4.486,-0.150,0.890,0.051).
atm(m559,a30,h,h,3.403,2.139,0.882,0.053).
atm(m559,a31,h,h,3.402,2.132,-0.883,0.053).
atm(m559,a32,h,h,1.984,0.038,-0.876,0.051).
atm(m559,a33,h,h,1.988,0.042,0.891,0.051).
atm(m559,a34,h,h,0.896,2.340,0.892,0.060).
atm(m559,a35,h,h,0.894,2.338,-0.881,0.060).
atm(m559,a36,h,h,-0.567,0.447,-0.803,0.023).
atm(m559,a37,h,h,-0.564,0.449,0.821,0.023).
bond(m559,a1,a2,1).
bond(m559,a1,a13,1).
bond(m559,a1,a14,1).
bond(m559,a1,a15,1).
bond(m559,a2,a3,1).
bond(m559,a2,a16,1).
bond(m559,a2,a17,1).
bond(m559,a3,a4,1).
bond(m559,a3,a18,1).
bond(m559,a3,a19,1).
bond(m559,a4,a5,1).
bond(m559,a4,a20,1).
bond(m559,a4,a21,1).
bond(m559,a5,a6,1).
bond(m559,a5,a22,1).
bond(m559,a5,a23,1).
bond(m559,a6,a7,1).
bond(m559,a6,a24,1).
bond(m559,a6,a25,1).
bond(m559,a7,a8,1).
bond(m559,a7,a26,1).
bond(m559,a7,a27,1).
bond(m559,a8,a9,1).
bond(m559,a8,a28,1).
bond(m559,a8,a29,1).
bond(m559,a9,a10,1).
bond(m559,a9,a30,1).
bond(m559,a9,a31,1).
bond(m559,a10,a11,1).
bond(m559,a10,a32,1).
bond(m559,a10,a33,1).
bond(m559,a11,a12,1).
bond(m559,a11,a34,1).
bond(m559,a11,a35,1).
bond(m559,a12,a36,1).
bond(m559,a12,a37,1).
atm(m55,a1,c,c3,2.800,0.000,0.000,0.042).
atm(m55,a2,c,c1,1.360,0.000,0.000,-0.157).
atm(m55,a3,n,n1,0.200,0.000,0.000,-0.070).
atm(m55,a4,h,h,3.183,0.891,0.515,0.062).
atm(m55,a5,h,h,3.183,-0.891,0.515,0.062).
atm(m55,a6,h,h,3.183,0.000,-1.029,0.062).
bond(m55,a1,a2,1).
bond(m55,a1,a4,1).
bond(m55,a1,a5,1).
bond(m55,a1,a6,1).
bond(m55,a2,a3,3).
atm(m560,a1,c,c1,0.000,1.211,0.000,-0.158).
atm(m560,a2,c,c1,1.191,1.212,-0.003,-0.223).
atm(m560,a3,c,c3,2.649,1.209,-0.035,0.225).
atm(m560,a4,o,o3,3.175,2.516,0.009,-0.312).
atm(m560,a5,c,c3,3.225,0.281,1.053,-0.135).
atm(m560,a6,c,c3,2.732,0.559,2.465,-0.111).
atm(m560,a7,c,c3,3.483,1.688,3.155,-0.097).
atm(m560,a8,c,c3,3.013,1.872,4.580,-0.111).
atm(m560,a9,h,h,-1.064,1.211,0.000,0.195).
atm(m560,a10,h,h,2.980,0.866,-1.044,0.073).
atm(m560,a11,h,h,3.027,2.851,0.889,0.196).
atm(m560,a12,h,h,2.960,-0.759,0.779,0.060).
atm(m560,a13,h,h,4.332,0.329,1.020,0.067).
atm(m560,a14,h,h,1.645,0.782,2.450,0.063).
atm(m560,a15,h,h,2.836,-0.364,3.071,0.054).
atm(m560,a16,h,h,4.573,1.486,3.137,0.053).
atm(m560,a17,h,h,3.349,2.638,2.592,0.042).
atm(m560,a18,h,h,3.550,2.692,5.074,0.039).
atm(m560,a19,h,h,1.941,2.105,4.627,0.039).
atm(m560,a20,h,h,3.176,0.966,5.180,0.040).
bond(m560,a1,a2,3).
bond(m560,a1,a9,1).
bond(m560,a2,a3,1).
bond(m560,a3,a4,1).
bond(m560,a3,a5,1).
bond(m560,a3,a10,1).
bond(m560,a4,a11,1).
bond(m560,a5,a6,1).
bond(m560,a5,a12,1).
bond(m560,a5,a13,1).
bond(m560,a6,a7,1).
bond(m560,a6,a14,1).
bond(m560,a6,a15,1).
bond(m560,a7,a8,1).
bond(m560,a7,a16,1).
bond(m560,a7,a17,1).
bond(m560,a8,a18,1).
bond(m560,a8,a19,1).
bond(m560,a8,a20,1).
atm(m561,a1,c,car,2.096,1.207,0.000,-0.244).
atm(m561,a2,c,c2,0.615,1.184,0.000,0.333).
atm(m561,a3,o,o2,-0.076,2.178,0.001,-0.323).
atm(m561,a4,c,car,2.807,2.411,0.002,0.002).
atm(m561,a5,c,car,4.193,2.409,0.001,-0.165).
atm(m561,a6,c,car,4.883,1.184,0.000,0.130).
atm(m561,a7,o,o3,6.249,1.318,0.000,-0.188).
atm(m561,a8,c,c3,7.025,0.123,-0.003,0.057).
atm(m561,a9,c,c3,8.478,0.558,-0.003,-0.122).
atm(m561,a10,c,car,4.179,-0.027,-0.002,-0.207).
atm(m561,a11,c,car,2.790,-0.003,-0.002,-0.013).
atm(m561,a12,h,h,0.142,0.186,-0.001,0.042).
atm(m561,a13,h,h,2.261,3.363,0.003,0.119).
atm(m561,a14,h,h,4.746,3.356,0.003,0.126).
atm(m561,a15,h,h,6.787,-0.486,0.891,0.039).
atm(m561,a16,h,h,6.786,-0.483,-0.898,0.039).
atm(m561,a17,h,h,8.729,1.157,0.883,0.052).
atm(m561,a18,h,h,9.134,-0.322,-0.005,0.047).
atm(m561,a19,h,h,8.729,1.160,-0.886,0.052).
atm(m561,a20,h,h,4.697,-0.992,-0.003,0.120).
atm(m561,a21,h,h,2.236,-0.950,-0.003,0.101).
bond(m561,a1,a2,1).
bond(m561,a1,a4,ar).
bond(m561,a1,a11,ar).
bond(m561,a2,a3,2).
bond(m561,a2,a12,1).
bond(m561,a4,a5,ar).
bond(m561,a4,a13,1).
bond(m561,a5,a6,ar).
bond(m561,a5,a14,1).
bond(m561,a6,a7,1).
bond(m561,a6,a10,ar).
bond(m561,a7,a8,1).
bond(m561,a8,a9,1).
bond(m561,a8,a15,1).
bond(m561,a8,a16,1).
bond(m561,a9,a17,1).
bond(m561,a9,a18,1).
bond(m561,a9,a19,1).
bond(m561,a10,a11,ar).
bond(m561,a10,a20,1).
bond(m561,a11,a21,1).
atm(m562,a1,c,c2,5.508,3.725,4.203,0.279).
atm(m562,a2,c,c3,6.896,3.160,4.482,-0.118).
atm(m562,a3,c,c3,5.384,3.765,2.662,-0.097).
atm(m562,a4,c,c3,6.878,4.045,2.255,-0.044).
atm(m562,a5,c,c3,7.424,2.829,3.088,-0.080).
atm(m562,a6,c,c3,6.607,1.670,2.482,-0.118).
atm(m562,a7,c,c3,7.394,5.404,2.707,-0.117).
atm(m562,a8,c,c3,7.168,3.916,0.766,-0.118).
atm(m562,a9,c,c3,5.206,2.277,2.268,-0.095).
atm(m562,a10,c,c3,4.339,4.693,2.112,-0.090).
atm(m562,a11,o,o2,4.691,4.072,5.020,-0.267).
atm(m562,a12,br,br,6.704,1.564,5.552,-0.066).
atm(m562,a13,h,h,7.553,3.851,5.051,0.113).
atm(m562,a14,h,h,8.519,2.678,3.048,0.094).
atm(m562,a15,h,h,7.055,1.381,1.508,0.063).
atm(m562,a16,h,h,6.597,0.756,3.098,0.080).
atm(m562,a17,h,h,7.094,5.663,3.732,0.046).
atm(m562,a18,h,h,7.012,6.201,2.053,0.052).
atm(m562,a19,h,h,8.491,5.437,2.669,0.048).
atm(m562,a20,h,h,6.477,4.532,0.176,0.050).
atm(m562,a21,h,h,7.074,2.876,0.411,0.055).
atm(m562,a22,h,h,8.190,4.243,0.533,0.047).
atm(m562,a23,h,h,4.870,2.186,1.219,0.062).
atm(m562,a24,h,h,4.431,1.784,2.881,0.067).
atm(m562,a25,h,h,4.545,5.734,2.394,0.050).
atm(m562,a26,h,h,4.302,4.644,1.015,0.047).
atm(m562,a27,h,h,3.342,4.434,2.492,0.057).
bond(m562,a1,a3,1).
bond(m562,a1,a2,1).
bond(m562,a1,a11,2).
bond(m562,a2,a5,1).
bond(m562,a2,a12,1).
bond(m562,a2,a13,1).
bond(m562,a3,a4,1).
bond(m562,a3,a9,1).
bond(m562,a3,a10,1).
bond(m562,a4,a5,1).
bond(m562,a4,a7,1).
bond(m562,a4,a8,1).
bond(m562,a5,a6,1).
bond(m562,a5,a14,1).
bond(m562,a6,a9,1).
bond(m562,a6,a15,1).
bond(m562,a6,a16,1).
bond(m562,a7,a17,1).
bond(m562,a7,a18,1).
bond(m562,a7,a19,1).
bond(m562,a8,a20,1).
bond(m562,a8,a21,1).
bond(m562,a8,a22,1).
bond(m562,a9,a23,1).
bond(m562,a9,a24,1).
bond(m562,a10,a25,1).
bond(m562,a10,a26,1).
bond(m562,a10,a27,1).
atm(m563,a1,c,c3,16.572,4.574,0.000,-0.072).
atm(m563,a2,c,c2,15.243,3.905,0.000,-0.103).
atm(m563,a3,c,c3,15.186,2.607,-0.721,-0.079).
atm(m563,a4,c,c2,14.191,4.461,0.617,-0.141).
atm(m563,a5,c,c3,12.837,3.878,0.631,-0.062).
atm(m563,a6,c,c3,12.474,2.729,1.549,-0.070).
atm(m563,a7,c,c3,11.547,1.668,1.019,-0.099).
atm(m563,a8,c,c3,13.494,2.170,2.502,-0.086).
atm(m563,a9,c,c3,11.949,4.125,1.825,-0.166).
atm(m563,a10,c,c2,10.497,4.434,1.637,0.404).
atm(m563,a11,o,o2,9.893,4.636,0.603,-0.372).
atm(m563,a12,o,o3,9.842,4.505,2.839,-0.266).
atm(m563,a13,c,c3,8.425,4.593,2.876,0.156).
atm(m563,a14,c,car,7.764,3.264,2.897,-0.197).
atm(m563,a15,c,car,8.278,2.017,2.626,-0.055).
atm(m563,a16,o,o3,7.306,1.056,2.767,-0.057).
atm(m563,a17,c,car,6.141,1.715,3.140,-0.048).
atm(m563,a18,c,c3,4.915,0.905,3.332,0.024).
atm(m563,a19,c,car,4.647,0.495,4.747,-0.078).
atm(m563,a20,c,car,5.577,0.668,5.770,-0.096).
atm(m563,a21,c,car,5.281,0.249,7.063,-0.097).
atm(m563,a22,c,car,4.056,-0.344,7.344,-0.106).
atm(m563,a23,c,car,3.122,-0.516,6.327,-0.098).
atm(m563,a24,c,car,3.414,-0.100,5.035,-0.108).
atm(m563,a25,c,car,6.373,3.068,3.230,-0.157).
atm(m563,a26,h,h,17.319,3.947,0.506,0.046).
atm(m563,a27,h,h,16.921,4.740,-1.028,0.047).
atm(m563,a28,h,h,16.558,5.548,0.507,0.043).
atm(m563,a29,h,h,15.355,2.757,-1.796,0.049).
atm(m563,a30,h,h,15.964,1.925,-0.353,0.046).
atm(m563,a31,h,h,14.218,2.100,-0.600,0.052).
atm(m563,a32,h,h,14.296,5.423,1.136,0.108).
atm(m563,a33,h,h,12.373,3.898,-0.377,0.120).
atm(m563,a34,h,h,10.913,2.039,0.201,0.058).
atm(m563,a35,h,h,12.120,0.815,0.632,0.052).
atm(m563,a36,h,h,10.877,1.297,1.812,0.046).
atm(m563,a37,h,h,13.006,1.649,3.335,0.047).
atm(m563,a38,h,h,14.148,1.453,1.988,0.049).
atm(m563,a39,h,h,14.136,2.955,2.926,0.049).
atm(m563,a40,h,h,12.379,4.671,2.690,0.124).
atm(m563,a41,h,h,8.268,5.119,3.835,0.060).
atm(m563,a42,h,h,8.012,5.217,2.060,0.068).
atm(m563,a43,h,h,9.266,1.653,2.329,0.161).
atm(m563,a44,h,h,4.055,1.497,2.956,0.068).
atm(m563,a45,h,h,4.959,-0.008,2.703,0.073).
atm(m563,a46,h,h,6.545,1.137,5.557,0.115).
atm(m563,a47,h,h,6.018,0.387,7.861,0.103).
atm(m563,a48,h,h,3.826,-0.675,8.362,0.103).
atm(m563,a49,h,h,2.155,-0.982,6.545,0.102).
atm(m563,a50,h,h,2.677,-0.238,4.236,0.104).
atm(m563,a51,h,h,5.666,3.849,3.495,0.136).
bond(m563,a1,a2,1).
bond(m563,a1,a26,1).
bond(m563,a1,a27,1).
bond(m563,a1,a28,1).
bond(m563,a2,a3,1).
bond(m563,a2,a4,2).
bond(m563,a3,a29,1).
bond(m563,a3,a30,1).
bond(m563,a3,a31,1).
bond(m563,a4,a5,1).
bond(m563,a4,a32,1).
bond(m563,a5,a6,1).
bond(m563,a5,a9,1).
bond(m563,a5,a33,1).
bond(m563,a6,a7,1).
bond(m563,a6,a8,1).
bond(m563,a6,a9,1).
bond(m563,a7,a34,1).
bond(m563,a7,a35,1).
bond(m563,a7,a36,1).
bond(m563,a8,a37,1).
bond(m563,a8,a38,1).
bond(m563,a8,a39,1).
bond(m563,a9,a10,1).
bond(m563,a9,a40,1).
bond(m563,a10,a11,2).
bond(m563,a10,a12,1).
bond(m563,a12,a13,1).
bond(m563,a13,a14,1).
bond(m563,a13,a41,1).
bond(m563,a13,a42,1).
bond(m563,a14,a15,ar).
bond(m563,a14,a25,ar).
bond(m563,a15,a16,ar).
bond(m563,a15,a43,1).
bond(m563,a16,a17,ar).
bond(m563,a17,a18,1).
bond(m563,a17,a25,ar).
bond(m563,a18,a19,1).
bond(m563,a18,a44,1).
bond(m563,a18,a45,1).
bond(m563,a19,a20,ar).
bond(m563,a19,a24,ar).
bond(m563,a20,a21,ar).
bond(m563,a20,a46,1).
bond(m563,a21,a22,ar).
bond(m563,a21,a47,1).
bond(m563,a22,a23,ar).
bond(m563,a22,a48,1).
bond(m563,a23,a24,ar).
bond(m563,a23,a49,1).
bond(m563,a24,a50,1).
bond(m563,a25,a51,1).
atm(m564,a1,c,c3,0.000,4.200,0.000,-0.125).
atm(m564,a2,c,c3,1.515,4.323,0.001,0.109).
atm(m564,a3,o,o3,2.055,3.227,-0.693,-0.538).
atm(m564,a4,p,p3,3.588,3.363,-1.437,1.548).
atm(m564,a5,s,s2,5.102,3.884,-0.326,-0.719).
atm(m564,a6,o,o3,3.559,1.808,-2.134,-0.510).
atm(m564,a7,c,c3,3.688,0.657,-1.340,0.112).
atm(m564,a8,c,c3,2.369,-0.083,-1.188,-0.147).
atm(m564,a9,s,s3,3.299,4.643,-3.153,-0.290).
atm(m564,a10,c,c3,4.802,5.663,-3.301,-0.274).
atm(m564,a11,s,s3,4.423,7.321,-3.869,0.027).
atm(m564,a12,c,c3,4.483,8.391,-2.338,-0.082).
atm(m564,a13,c,c3,5.705,8.075,-1.488,-0.138).
atm(m564,a14,c,c3,3.215,8.228,-1.511,-0.118).
atm(m564,a15,c,c3,4.568,9.811,-2.882,-0.109).
atm(m564,a16,h,h,-0.418,4.246,-1.014,0.052).
atm(m564,a17,h,h,-0.443,5.019,0.581,0.046).
atm(m564,a18,h,h,-0.334,3.255,0.448,0.052).
atm(m564,a19,h,h,1.838,5.274,-0.472,0.029).
atm(m564,a20,h,h,1.916,4.301,1.032,0.042).
atm(m564,a21,h,h,4.423,0.048,-1.901,0.053).
atm(m564,a22,h,h,4.134,0.905,-0.357,0.038).
atm(m564,a23,h,h,2.530,-1.027,-0.653,0.048).
atm(m564,a24,h,h,1.627,0.497,-0.623,0.056).
atm(m564,a25,h,h,1.921,-0.325,-2.161,0.055).
atm(m564,a26,h,h,5.379,5.669,-2.341,0.141).
atm(m564,a27,h,h,5.462,5.204,-4.062,0.130).
atm(m564,a28,h,h,5.686,8.640,-0.547,0.059).
atm(m564,a29,h,h,5.751,7.002,-1.228,0.064).
atm(m564,a30,h,h,6.639,8.330,-2.007,0.060).
atm(m564,a31,h,h,3.125,7.213,-1.098,0.047).
atm(m564,a32,h,h,3.208,8.928,-0.664,0.050).
atm(m564,a33,h,h,2.315,8.424,-2.110,0.064).
atm(m564,a34,h,h,4.598,10.538,-2.058,0.051).
atm(m564,a35,h,h,5.472,9.962,-3.488,0.060).
atm(m564,a36,h,h,3.700,10.057,-3.508,0.059).
bond(m564,a1,a2,1).
bond(m564,a1,a16,1).
bond(m564,a1,a17,1).
bond(m564,a1,a18,1).
bond(m564,a2,a3,1).
bond(m564,a2,a19,1).
bond(m564,a2,a20,1).
bond(m564,a3,a4,1).
bond(m564,a4,a5,2).
bond(m564,a4,a6,1).
bond(m564,a4,a9,1).
bond(m564,a6,a7,1).
bond(m564,a7,a8,1).
bond(m564,a7,a21,1).
bond(m564,a7,a22,1).
bond(m564,a8,a23,1).
bond(m564,a8,a24,1).
bond(m564,a8,a25,1).
bond(m564,a9,a10,1).
bond(m564,a10,a11,1).
bond(m564,a10,a26,1).
bond(m564,a10,a27,1).
bond(m564,a11,a12,1).
bond(m564,a12,a13,1).
bond(m564,a12,a14,1).
bond(m564,a12,a15,1).
bond(m564,a13,a28,1).
bond(m564,a13,a29,1).
bond(m564,a13,a30,1).
bond(m564,a14,a31,1).
bond(m564,a14,a32,1).
bond(m564,a14,a33,1).
bond(m564,a15,a34,1).
bond(m564,a15,a35,1).
bond(m564,a15,a36,1).
atm(m565,a1,br,br,0.000,2.423,0.000,-0.047).
atm(m565,a2,c,c3,0.687,0.647,0.067,-0.024).
atm(m565,a3,br,br,-1.034,-0.187,0.217,-0.040).
atm(m565,a4,c,car,1.519,0.357,1.235,-0.088).
atm(m565,a5,c,car,1.445,0.996,2.486,-0.051).
atm(m565,a6,c,c3,0.485,2.065,2.784,-0.045).
atm(m565,a7,br,br,-1.289,1.590,2.260,-0.007).
atm(m565,a8,br,br,0.024,2.110,4.652,-0.065).
atm(m565,a9,c,car,2.358,0.634,3.485,-0.089).
atm(m565,a10,c,car,3.290,-0.373,3.279,-0.077).
atm(m565,a11,c,car,3.340,-1.032,2.056,-0.092).
atm(m565,a12,c,car,2.471,-0.658,1.044,-0.078).
atm(m565,a13,h,h,1.160,0.382,-0.901,0.116).
atm(m565,a14,h,h,0.787,3.072,2.439,0.129).
atm(m565,a15,h,h,2.373,1.148,4.454,0.127).
atm(m565,a16,h,h,3.986,-0.646,4.080,0.110).
atm(m565,a17,h,h,4.067,-1.835,1.889,0.111).
atm(m565,a18,h,h,2.529,-1.171,0.075,0.111).
bond(m565,a1,a2,1).
bond(m565,a2,a3,1).
bond(m565,a2,a4,1).
bond(m565,a2,a13,1).
bond(m565,a4,a5,ar).
bond(m565,a4,a12,ar).
bond(m565,a5,a6,1).
bond(m565,a5,a9,ar).
bond(m565,a6,a7,1).
bond(m565,a6,a8,1).
bond(m565,a6,a14,1).
bond(m565,a9,a10,ar).
bond(m565,a9,a15,1).
bond(m565,a10,a11,ar).
bond(m565,a10,a16,1).
bond(m565,a11,a12,ar).
bond(m565,a11,a17,1).
bond(m565,a12,a18,1).
atm(m566,a1,c,car,2.800,0.000,0.000,-0.053).
atm(m566,a2,c,car,2.095,1.211,0.000,-0.150).
atm(m566,a3,c,c2,0.597,1.201,0.000,0.326).
atm(m566,a4,o,o2,-0.047,2.235,0.000,-0.312).
atm(m566,a5,c,c3,-0.132,-0.121,0.001,-0.169).
atm(m566,a6,c,car,2.829,2.406,0.000,-0.079).
atm(m566,a7,cl,cl,2.116,3.920,0.000,0.153).
atm(m566,a8,c,car,4.231,2.372,-0.001,-0.176).
atm(m566,a9,cl,cl,5.102,3.806,-0.001,0.123).
atm(m566,a10,c,car,4.906,1.154,-0.001,-0.104).
atm(m566,a11,cl,cl,6.582,1.126,-0.001,0.110).
atm(m566,a12,c,car,4.186,-0.038,0.000,-0.113).
atm(m566,a13,h,h,2.247,-0.952,0.000,0.118).
atm(m566,a14,h,h,0.533,-0.996,0.001,0.058).
atm(m566,a15,h,h,-0.778,-0.202,0.886,0.072).
atm(m566,a16,h,h,-0.779,-0.203,-0.884,0.072).
atm(m566,a17,h,h,4.718,-0.996,0.000,0.123).
bond(m566,a1,a2,ar).
bond(m566,a1,a12,ar).
bond(m566,a1,a13,1).
bond(m566,a2,a3,1).
bond(m566,a2,a6,ar).
bond(m566,a3,a4,2).
bond(m566,a3,a5,1).
bond(m566,a5,a14,1).
bond(m566,a5,a15,1).
bond(m566,a5,a16,1).
bond(m566,a6,a7,1).
bond(m566,a6,a8,ar).
bond(m566,a8,a9,1).
bond(m566,a8,a10,ar).
bond(m566,a10,a11,1).
bond(m566,a10,a12,ar).
bond(m566,a12,a17,1).
atm(m567,a1,c,car,2.800,2.422,0.000,0.108).
atm(m567,a2,o,o3,2.199,3.675,-0.065,-0.202).
atm(m567,a3,c,c3,1.918,4.103,-1.382,0.040).
atm(m567,a4,c,car,4.201,2.296,-0.057,-0.003).
atm(m567,a5,o,o3,4.998,3.429,-0.160,-0.178).
atm(m567,a6,c,c3,5.409,3.720,-1.479,0.042).
atm(m567,a7,c,car,4.788,1.020,0.124,0.097).
atm(m567,a8,o,o3,6.162,0.989,0.038,-0.173).
atm(m567,a9,c,c3,6.802,-0.242,0.272,0.049).
atm(m567,a10,c,car,3.978,-0.095,0.362,-0.191).
atm(m567,a11,c,car,2.598,0.051,0.426,-0.033).
atm(m567,a12,c,car,2.000,1.295,0.248,-0.199).
atm(m567,a13,c,c2,0.510,1.393,0.337,0.350).
atm(m567,a14,o,o2,-0.195,1.380,-0.653,-0.312).
atm(m567,a15,c,c3,-0.038,1.490,1.733,-0.165).
atm(m567,a16,h,h,1.215,3.434,-1.890,0.041).
atm(m567,a17,h,h,2.834,4.206,-1.984,0.031).
atm(m567,a18,h,h,1.462,5.083,-1.220,0.050).
atm(m567,a19,h,h,6.050,4.594,-1.341,0.049).
atm(m567,a20,h,h,5.976,2.901,-1.935,0.031).
atm(m567,a21,h,h,4.550,3.976,-2.119,0.027).
atm(m567,a22,h,h,7.857,0.028,0.170,0.054).
atm(m567,a23,h,h,6.609,-0.630,1.279,0.031).
atm(m567,a24,h,h,6.535,-0.999,-0.474,0.028).
atm(m567,a25,h,h,4.413,-1.091,0.504,0.121).
atm(m567,a26,h,h,1.972,-0.827,0.619,0.107).
atm(m567,a27,h,h,0.316,0.646,2.341,0.061).
atm(m567,a28,h,h,0.314,2.414,2.211,0.074).
atm(m567,a29,h,h,-1.135,1.492,1.761,0.065).
bond(m567,a1,a2,1).
bond(m567,a1,a4,ar).
bond(m567,a1,a12,ar).
bond(m567,a2,a3,1).
bond(m567,a3,a16,1).
bond(m567,a3,a17,1).
bond(m567,a3,a18,1).
bond(m567,a4,a5,1).
bond(m567,a4,a7,ar).
bond(m567,a5,a6,1).
bond(m567,a6,a19,1).
bond(m567,a6,a20,1).
bond(m567,a6,a21,1).
bond(m567,a7,a8,1).
bond(m567,a7,a10,ar).
bond(m567,a8,a9,1).
bond(m567,a9,a22,1).
bond(m567,a9,a23,1).
bond(m567,a9,a24,1).
bond(m567,a10,a11,ar).
bond(m567,a10,a25,1).
bond(m567,a11,a12,ar).
bond(m567,a11,a26,1).
bond(m567,a12,a13,1).
bond(m567,a13,a14,2).
bond(m567,a13,a15,1).
bond(m567,a15,a27,1).
bond(m567,a15,a28,1).
bond(m567,a15,a29,1).
atm(m568,a1,c,c3,3.497,6.060,0.000,-0.151).
atm(m568,a2,c,c3,1.981,6.103,0.042,0.083).
atm(m568,a3,o,o3,1.395,4.826,-0.185,-0.245).
atm(m568,a4,c,c2,1.308,4.340,-1.453,0.372).
atm(m568,a5,o,o2,1.575,5.039,-2.410,-0.358).
atm(m568,a6,c,c3,0.840,2.895,-1.526,-0.115).
atm(m568,a7,cl,cl,-0.155,2.458,-0.121,0.036).
atm(m568,a8,c,c2,2.016,1.931,-1.585,0.370).
atm(m568,a9,o,o2,2.165,1.034,-2.388,-0.350).
atm(m568,a10,o,o3,2.930,2.147,-0.604,-0.254).
atm(m568,a11,c,c3,4.109,1.337,-0.572,0.082).
atm(m568,a12,c,c3,4.952,1.878,0.566,-0.126).
atm(m568,a13,h,h,3.911,6.998,0.390,0.051).
atm(m568,a14,h,h,3.906,5.238,0.604,0.054).
atm(m568,a15,h,h,3.875,5.933,-1.023,0.057).
atm(m568,a16,h,h,1.600,6.312,1.058,0.058).
atm(m568,a17,h,h,1.573,6.865,-0.648,0.057).
atm(m568,a18,h,h,0.214,2.766,-2.444,0.126).
atm(m568,a19,h,h,3.828,0.280,-0.413,0.051).
atm(m568,a20,h,h,4.637,1.406,-1.543,0.050).
atm(m568,a21,h,h,4.464,1.746,1.540,0.052).
atm(m568,a22,h,h,5.914,1.352,0.603,0.051).
atm(m568,a23,h,h,5.163,2.951,0.451,0.051).
bond(m568,a1,a2,1).
bond(m568,a1,a13,1).
bond(m568,a1,a14,1).
bond(m568,a1,a15,1).
bond(m568,a2,a3,1).
bond(m568,a2,a16,1).
bond(m568,a2,a17,1).
bond(m568,a3,a4,1).
bond(m568,a4,a5,2).
bond(m568,a4,a6,1).
bond(m568,a6,a7,1).
bond(m568,a6,a8,1).
bond(m568,a6,a18,1).
bond(m568,a8,a9,2).
bond(m568,a8,a10,1).
bond(m568,a10,a11,1).
bond(m568,a11,a12,1).
bond(m568,a11,a19,1).
bond(m568,a11,a20,1).
bond(m568,a12,a21,1).
bond(m568,a12,a22,1).
bond(m568,a12,a23,1).
atm(m569,a1,c,c3,0.000,0.698,0.000,-0.112).
atm(m569,a2,c,c3,1.301,-0.076,0.078,-0.085).
atm(m569,a3,n,n3,2.337,0.539,-0.788,-0.068).
atm(m569,a4,c,c3,3.596,-0.251,-0.823,-0.041).
atm(m569,a5,c,car,4.516,0.291,-1.874,-0.090).
atm(m569,a6,c,car,5.379,1.346,-1.576,-0.077).
atm(m569,a7,c,car,6.232,1.846,-2.554,-0.104).
atm(m569,a8,c,car,6.228,1.296,-3.831,-0.099).
atm(m569,a9,c,car,5.369,0.244,-4.131,-0.104).
atm(m569,a10,c,car,4.515,-0.258,-3.157,-0.098).
atm(m569,a11,h,h,0.130,1.753,0.275,0.051).
atm(m569,a12,h,h,-0.436,0.675,-1.008,0.037).
atm(m569,a13,h,h,-0.744,0.270,0.685,0.040).
atm(m569,a14,h,h,1.695,-0.067,1.114,0.054).
atm(m569,a15,h,h,1.124,-1.145,-0.174,0.028).
atm(m569,a16,h,h,1.982,0.660,-1.714,0.052).
atm(m569,a17,h,h,4.060,-0.175,0.181,0.060).
atm(m569,a18,h,h,3.411,-1.334,-0.999,0.036).
atm(m569,a19,h,h,5.381,1.783,-0.570,0.110).
atm(m569,a20,h,h,6.907,2.674,-2.317,0.103).
atm(m569,a21,h,h,6.901,1.691,-4.600,0.102).
atm(m569,a22,h,h,5.366,-0.190,-5.136,0.102).
atm(m569,a23,h,h,3.842,-1.089,-3.396,0.103).
bond(m569,a1,a2,1).
bond(m569,a1,a11,1).
bond(m569,a1,a12,1).
bond(m569,a1,a13,1).
bond(m569,a2,a3,1).
bond(m569,a2,a14,1).
bond(m569,a2,a15,1).
bond(m569,a3,a4,1).
bond(m569,a3,a16,1).
bond(m569,a4,a5,1).
bond(m569,a4,a17,1).
bond(m569,a4,a18,1).
bond(m569,a5,a6,ar).
bond(m569,a5,a10,ar).
bond(m569,a6,a7,ar).
bond(m569,a6,a19,1).
bond(m569,a7,a8,ar).
bond(m569,a7,a20,1).
bond(m569,a8,a9,ar).
bond(m569,a8,a21,1).
bond(m569,a9,a10,ar).
bond(m569,a9,a22,1).
bond(m569,a10,a23,1).
atm(m56,a1,c,c3,2.424,0.000,0.000,-0.196).
atm(m56,a2,c,c2,1.123,0.748,0.000,0.281).
atm(m56,a3,o,o2,0.045,0.199,-0.001,-0.318).
atm(m56,a4,h,h,3.282,0.683,0.003,0.053).
atm(m56,a5,h,h,2.513,-0.649,0.882,0.069).
atm(m56,a6,h,h,2.515,-0.643,-0.885,0.069).
atm(m56,a7,h,h,1.175,1.849,0.001,0.041).
bond(m56,a1,a2,1).
bond(m56,a1,a4,1).
bond(m56,a1,a5,1).
bond(m56,a1,a6,1).
bond(m56,a2,a3,2).
bond(m56,a2,a7,1).
atm(m570,a1,cl,cl,4.204,1.215,0.000,0.282).
atm(m570,a2,c,car,2.532,1.215,0.000,-0.267).
atm(m570,a3,c,car,1.853,-0.011,0.000,-0.074).
atm(m570,a4,c,car,0.464,-0.046,0.001,0.018).
atm(m570,a5,c,car,-0.251,1.156,0.001,-0.059).
atm(m570,a6,c,car,0.431,2.363,0.001,-0.170).
atm(m570,a7,n,n4,1.810,2.396,0.001,0.492).
atm(m570,a8,c,c3,2.480,3.717,0.001,-0.190).
atm(m570,a9,h,h,2.441,-0.942,0.000,0.162).
atm(m570,a10,h,h,-0.068,-1.009,0.001,0.150).
atm(m570,a11,h,h,-1.351,1.154,0.001,0.157).
atm(m570,a12,h,h,-0.108,3.327,0.001,0.173).
atm(m570,a13,h,h,3.579,3.626,0.000,0.108).
atm(m570,a14,h,h,2.190,4.296,-0.891,0.107).
atm(m570,a15,h,h,2.191,4.296,0.892,0.107).
bond(m570,a1,a2,1).
bond(m570,a2,a3,ar).
bond(m570,a2,a7,ar).
bond(m570,a3,a4,ar).
bond(m570,a3,a9,1).
bond(m570,a4,a5,ar).
bond(m570,a4,a10,1).
bond(m570,a5,a6,ar).
bond(m570,a5,a11,1).
bond(m570,a6,a7,ar).
bond(m570,a6,a12,1).
bond(m570,a7,a8,1).
bond(m570,a8,a13,1).
bond(m570,a8,a14,1).
bond(m570,a8,a15,1).
atm(m571,a1,c,car,6.058,2.800,0.000,-0.058).
atm(m571,a2,c,car,7.264,2.111,0.097,-0.086).
atm(m571,a3,c,car,7.219,0.757,0.367,-0.101).
atm(m571,a4,br,br,8.833,-0.170,0.499,0.009).
atm(m571,a5,c,car,6.045,0.052,0.548,-0.085).
atm(m571,a6,c,car,4.842,0.745,0.444,-0.062).
atm(m571,a7,c,car,4.853,2.114,0.167,-0.147).
atm(m571,a8,c,c2,3.559,2.857,0.078,0.379).
atm(m571,a9,o,o2,3.236,3.672,0.920,-0.291).
atm(m571,a10,c,car,2.693,2.543,-1.092,-0.216).
atm(m571,a11,c,car,3.252,2.163,-2.315,-0.025).
atm(m571,a12,c,car,2.415,1.895,-3.392,-0.163).
atm(m571,a13,c,car,1.034,2.006,-3.224,-0.034).
atm(m571,a14,n,nar,0.494,2.372,-2.039,-0.088).
atm(m571,a15,c,car,1.299,2.643,-0.988,-0.004).
atm(m571,a16,h,h,6.055,3.878,-0.198,0.116).
atm(m571,a17,h,h,8.227,2.617,-0.029,0.127).
atm(m571,a18,h,h,6.073,-1.021,0.767,0.127).
atm(m571,a19,h,h,3.891,0.219,0.581,0.114).
atm(m571,a20,h,h,4.340,2.079,-2.418,0.116).
atm(m571,a21,h,h,2.832,1.600,-4.361,0.119).
atm(m571,a22,h,h,0.320,1.806,-4.032,0.120).
atm(m571,a23,h,h,0.797,2.945,-0.060,0.133).
bond(m571,a1,a2,ar).
bond(m571,a1,a7,ar).
bond(m571,a1,a16,1).
bond(m571,a2,a3,ar).
bond(m571,a2,a17,1).
bond(m571,a3,a4,1).
bond(m571,a3,a5,ar).
bond(m571,a5,a6,ar).
bond(m571,a5,a18,1).
bond(m571,a6,a7,ar).
bond(m571,a6,a19,1).
bond(m571,a7,a8,1).
bond(m571,a8,a9,2).
bond(m571,a8,a10,1).
bond(m571,a10,a11,ar).
bond(m571,a10,a15,ar).
bond(m571,a11,a12,ar).
bond(m571,a11,a20,1).
bond(m571,a12,a13,ar).
bond(m571,a12,a21,1).
bond(m571,a13,a14,ar).
bond(m571,a13,a22,1).
bond(m571,a14,a15,ar).
bond(m571,a15,a23,1).
atm(m572,a1,c,car,6.054,2.798,0.000,-0.045).
atm(m572,a2,c,car,7.249,2.156,0.306,-0.114).
atm(m572,a3,c,car,7.235,0.916,0.937,-0.073).
atm(m572,a4,c,car,6.022,0.315,1.262,-0.112).
atm(m572,a5,c,car,4.826,0.949,0.951,-0.063).
atm(m572,a6,c,car,4.837,2.194,0.318,-0.165).
atm(m572,a7,c,c2,3.556,2.884,-0.007,0.373).
atm(m572,a8,o,o2,3.443,4.094,0.007,-0.293).
atm(m572,a9,c,car,2.401,2.003,-0.364,-0.108).
atm(m572,a10,c,car,1.459,1.645,0.600,-0.123).
atm(m572,a11,c,car,0.389,0.831,0.226,-0.063).
atm(m572,a12,n,nar,0.247,0.387,-1.044,-0.069).
atm(m572,a13,c,car,1.157,0.736,-1.981,-0.062).
atm(m572,a14,c,car,2.251,1.546,-1.673,-0.117).
atm(m572,a15,h,h,6.067,3.782,-0.485,0.118).
atm(m572,a16,h,h,8.203,2.631,0.053,0.109).
atm(m572,a17,h,h,8.177,0.414,1.179,0.105).
atm(m572,a18,h,h,6.010,-0.659,1.761,0.108).
atm(m572,a19,h,h,3.867,0.477,1.203,0.111).
atm(m572,a20,h,h,1.551,2.001,1.632,0.121).
atm(m572,a21,h,h,-0.386,0.514,0.933,0.121).
atm(m572,a22,h,h,0.979,0.344,-2.989,0.121).
atm(m572,a23,h,h,2.975,1.818,-2.448,0.120).
bond(m572,a1,a2,ar).
bond(m572,a1,a6,ar).
bond(m572,a1,a15,1).
bond(m572,a2,a3,ar).
bond(m572,a2,a16,1).
bond(m572,a3,a4,ar).
bond(m572,a3,a17,1).
bond(m572,a4,a5,ar).
bond(m572,a4,a18,1).
bond(m572,a5,a6,ar).
bond(m572,a5,a19,1).
bond(m572,a6,a7,1).
bond(m572,a7,a8,2).
bond(m572,a7,a9,1).
bond(m572,a9,a10,ar).
bond(m572,a9,a14,ar).
bond(m572,a10,a11,ar).
bond(m572,a10,a20,1).
bond(m572,a11,a12,ar).
bond(m572,a11,a21,1).
bond(m572,a12,a13,ar).
bond(m572,a13,a14,ar).
bond(m572,a13,a22,1).
bond(m572,a14,a23,1).
atm(m573,a1,c,c3,2.763,3.816,-0.340,-0.160).
atm(m573,a2,c,c3,2.095,2.434,-0.369,0.108).
atm(m573,a3,c,c3,2.153,1.784,1.021,-0.159).
atm(m573,a4,c,c3,2.791,1.535,-1.412,-0.118).
atm(m573,a5,c,c3,4.261,1.319,-1.080,-0.117).
atm(m573,a6,c,c3,4.919,0.341,-2.052,-0.072).
atm(m573,a7,c,c3,4.306,-1.043,-1.910,-0.122).
atm(m573,a8,c,c3,6.419,0.288,-1.814,-0.111).
atm(m573,a9,o,o3,0.743,2.544,-0.806,-0.309).
atm(m573,a10,h,h,3.858,3.706,-0.285,0.057).
atm(m573,a11,h,h,2.538,4.389,-1.250,0.055).
atm(m573,a12,h,h,2.437,4.416,0.519,0.043).
atm(m573,a13,h,h,1.527,0.883,1.069,0.055).
atm(m573,a14,h,h,3.186,1.479,1.253,0.058).
atm(m573,a15,h,h,1.814,2.467,1.811,0.043).
atm(m573,a16,h,h,2.690,1.986,-2.419,0.064).
atm(m573,a17,h,h,2.284,0.544,-1.474,0.071).
atm(m573,a18,h,h,4.353,0.947,-0.033,0.059).
atm(m573,a19,h,h,4.785,2.300,-1.087,0.057).
atm(m573,a20,h,h,4.578,-1.512,-0.955,0.040).
atm(m573,a21,h,h,3.205,-0.978,-1.943,0.049).
atm(m573,a22,h,h,4.633,-1.714,-2.713,0.041).
atm(m573,a23,h,h,6.884,1.271,-1.962,0.038).
atm(m573,a24,h,h,6.904,-0.415,-2.503,0.040).
atm(m573,a25,h,h,4.737,0.706,-3.093,0.063).
atm(m573,a26,h,h,6.655,-0.037,-0.792,0.039).
atm(m573,a27,h,h,0.307,3.100,-0.175,0.186).
bond(m573,a1,a2,1).
bond(m573,a1,a10,1).
bond(m573,a1,a11,1).
bond(m573,a1,a12,1).
bond(m573,a2,a3,1).
bond(m573,a2,a4,1).
bond(m573,a2,a9,1).
bond(m573,a3,a13,1).
bond(m573,a3,a14,1).
bond(m573,a3,a15,1).
bond(m573,a4,a5,1).
bond(m573,a4,a16,1).
bond(m573,a4,a17,1).
bond(m573,a5,a6,1).
bond(m573,a5,a18,1).
bond(m573,a5,a19,1).
bond(m573,a6,a7,1).
bond(m573,a6,a8,1).
bond(m573,a6,a25,1).
bond(m573,a7,a20,1).
bond(m573,a7,a21,1).
bond(m573,a7,a22,1).
bond(m573,a8,a26,1).
bond(m573,a8,a23,1).
bond(m573,a8,a24,1).
bond(m573,a9,a27,1).
atm(m574,a1,n,nar,2.795,0.000,0.000,0.058).
atm(m574,a2,c,car,2.115,1.184,0.000,-0.424).
atm(m574,a3,n,n4,0.609,1.056,0.000,1.316).
atm(m574,a4,o,oco2,-0.068,2.065,0.000,-0.594).
atm(m574,a5,o,oco2,0.093,-0.040,-0.001,-0.572).
atm(m574,a6,c,car,2.829,2.401,0.001,0.170).
atm(m574,a7,o,o3,2.135,3.562,0.001,-0.173).
atm(m574,a8,c,car,4.242,2.368,0.001,-0.197).
atm(m574,a9,c,car,4.892,1.149,0.001,-0.043).
atm(m574,a10,c,car,4.133,-0.032,0.000,-0.125).
atm(m574,a11,h,h,2.753,4.285,0.001,0.206).
atm(m574,a12,h,h,4.818,3.302,0.001,0.125).
atm(m574,a13,h,h,5.986,1.098,0.001,0.118).
atm(m574,a14,h,h,4.590,-1.030,0.000,0.136).
bond(m574,a1,a2,ar).
bond(m574,a1,a10,ar).
bond(m574,a2,a3,1).
bond(m574,a2,a6,ar).
bond(m574,a3,a4,2).
bond(m574,a3,a5,1).
bond(m574,a6,a7,1).
bond(m574,a6,a8,ar).
bond(m574,a7,a11,1).
bond(m574,a8,a9,ar).
bond(m574,a8,a12,1).
bond(m574,a9,a10,ar).
bond(m574,a9,a13,1).
bond(m574,a10,a14,1).
atm(m575,a1,c,car,4.899,4.848,0.000,-0.070).
atm(m575,a2,c,c3,4.245,6.156,-0.333,-0.048).
atm(m575,a3,c,c3,4.975,6.924,-1.415,-0.116).
atm(m575,a4,c,car,6.293,4.802,0.041,-0.121).
atm(m575,a5,c,car,6.958,3.626,0.359,-0.079).
atm(m575,a6,c,car,6.232,2.478,0.637,-0.123).
atm(m575,a7,c,car,4.835,2.485,0.611,-0.023).
atm(m575,a8,c,c3,4.106,1.202,0.873,-0.069).
atm(m575,a9,c,c3,4.789,0.320,1.898,-0.111).
atm(m575,a10,c,car,4.167,3.682,0.296,-0.056).
atm(m575,a11,n,nam,2.703,3.701,0.286,0.013).
atm(m575,a12,c,c3,2.065,4.426,1.403,0.068).
atm(m575,a13,o,o3,1.699,3.380,2.286,-0.264).
atm(m575,a14,c,c3,1.217,3.826,3.526,0.058).
atm(m575,a15,c,c2,2.004,3.442,-0.931,0.239).
atm(m575,a16,o,o2,2.639,3.041,-1.893,-0.341).
atm(m575,a17,c,c3,0.501,3.622,-0.984,-0.130).
atm(m575,a18,cl,cl,-0.266,2.052,-0.696,-0.006).
atm(m575,a19,h,h,3.192,6.012,-0.646,0.045).
atm(m575,a20,h,h,4.200,6.760,0.598,0.051).
atm(m575,a21,h,h,6.046,7.031,-1.174,0.046).
atm(m575,a22,h,h,4.910,6.415,-2.385,0.051).
atm(m575,a23,h,h,4.557,7.930,-1.538,0.039).
atm(m575,a24,h,h,6.857,5.716,-0.203,0.114).
atm(m575,a25,h,h,8.052,3.605,0.384,0.103).
atm(m575,a26,h,h,6.749,1.539,0.888,0.117).
atm(m575,a27,h,h,3.066,1.394,1.204,0.077).
atm(m575,a28,h,h,4.020,0.666,-0.094,0.068).
atm(m575,a29,h,h,5.852,0.164,1.653,0.040).
atm(m575,a30,h,h,4.749,0.760,2.902,0.040).
atm(m575,a31,h,h,4.310,-0.666,1.949,0.041).
atm(m575,a32,h,h,2.768,5.143,1.876,0.055).
atm(m575,a33,h,h,1.160,4.983,1.069,0.039).
atm(m575,a34,h,h,1.971,4.396,4.082,0.020).
atm(m575,a35,h,h,0.310,4.432,3.419,0.016).
atm(m575,a36,h,h,0.987,2.896,4.052,0.052).
atm(m575,a37,h,h,0.132,4.350,-0.232,0.077).
atm(m575,a38,h,h,0.191,3.993,-1.978,0.088).
bond(m575,a1,a2,1).
bond(m575,a1,a4,ar).
bond(m575,a1,a10,ar).
bond(m575,a2,a3,1).
bond(m575,a2,a19,1).
bond(m575,a2,a20,1).
bond(m575,a3,a21,1).
bond(m575,a3,a22,1).
bond(m575,a3,a23,1).
bond(m575,a4,a5,ar).
bond(m575,a4,a24,1).
bond(m575,a5,a6,ar).
bond(m575,a5,a25,1).
bond(m575,a6,a7,ar).
bond(m575,a6,a26,1).
bond(m575,a7,a8,1).
bond(m575,a7,a10,ar).
bond(m575,a8,a9,1).
bond(m575,a8,a27,1).
bond(m575,a8,a28,1).
bond(m575,a9,a29,1).
bond(m575,a9,a30,1).
bond(m575,a9,a31,1).
bond(m575,a10,a11,1).
bond(m575,a11,a12,1).
bond(m575,a11,a15,1).
bond(m575,a12,a13,1).
bond(m575,a12,a32,1).
bond(m575,a12,a33,1).
bond(m575,a13,a14,1).
bond(m575,a14,a34,1).
bond(m575,a14,a35,1).
bond(m575,a14,a36,1).
bond(m575,a15,a16,2).
bond(m575,a15,a17,1).
bond(m575,a17,a18,1).
bond(m575,a17,a37,1).
bond(m575,a17,a38,1).
atm(m576,a1,n,npl3,10.519,4.860,0.000,0.071).
atm(m576,a2,c,car,9.761,3.647,0.002,-0.084).
atm(m576,a3,c,car,10.290,2.489,0.587,-0.145).
atm(m576,a4,c,car,9.510,1.344,0.686,-0.068).
atm(m576,a5,c,car,8.201,1.334,0.204,-0.111).
atm(m576,a6,c,c3,7.347,0.115,0.334,-0.047).
atm(m576,a7,c,c3,7.209,-0.670,-0.965,-0.094).
atm(m576,a8,c,c3,6.563,0.135,-2.086,-0.113).
atm(m576,a9,c,c3,5.725,-0.741,-3.003,-0.099).
atm(m576,a10,c,c3,5.141,0.063,-4.153,-0.102).
atm(m576,a11,c,c3,4.296,-0.811,-5.065,-0.103).
atm(m576,a12,c,c3,3.712,-0.008,-6.217,-0.098).
atm(m576,a13,c,c3,2.870,-0.876,-7.126,-0.109).
atm(m576,a14,c,car,7.682,2.487,-0.389,-0.080).
atm(m576,a15,c,car,8.448,3.638,-0.493,-0.141).
atm(m576,a16,h,h,11.498,4.679,-0.019,0.030).
atm(m576,a17,h,h,10.252,5.456,-0.751,0.029).
atm(m576,a18,h,h,11.316,2.477,0.974,0.109).
atm(m576,a19,h,h,9.928,0.442,1.149,0.103).
atm(m576,a20,h,h,7.764,-0.552,1.116,0.051).
atm(m576,a21,h,h,6.344,0.414,0.701,0.055).
atm(m576,a22,h,h,8.202,-1.037,-1.292,0.051).
atm(m576,a23,h,h,6.612,-1.582,-0.757,0.050).
atm(m576,a24,h,h,5.944,0.959,-1.660,0.057).
atm(m576,a25,h,h,7.347,0.653,-2.675,0.055).
atm(m576,a26,h,h,6.343,-1.573,-3.396,0.051).
atm(m576,a27,h,h,4.909,-1.223,-2.427,0.051).
atm(m576,a28,h,h,4.531,0.900,-3.758,0.050).
atm(m576,a29,h,h,5.956,0.540,-4.735,0.051).
atm(m576,a30,h,h,4.906,-1.648,-5.459,0.051).
atm(m576,a31,h,h,3.479,-1.286,-4.485,0.051).
atm(m576,a32,h,h,3.103,0.829,-5.822,0.048).
atm(m576,a33,h,h,4.528,0.467,-6.797,0.048).
atm(m576,a34,h,h,2.029,-1.331,-6.586,0.038).
atm(m576,a35,h,h,3.458,-1.694,-7.562,0.038).
atm(m576,a36,h,h,2.451,-0.294,-7.956,0.037).
atm(m576,a37,h,h,6.659,2.454,-0.795,0.111).
atm(m576,a38,h,h,8.020,4.533,-0.960,0.109).
bond(m576,a1,a2,1).
bond(m576,a1,a16,1).
bond(m576,a1,a17,1).
bond(m576,a2,a3,ar).
bond(m576,a2,a15,ar).
bond(m576,a3,a4,ar).
bond(m576,a3,a18,1).
bond(m576,a4,a5,ar).
bond(m576,a4,a19,1).
bond(m576,a5,a6,1).
bond(m576,a5,a14,ar).
bond(m576,a6,a7,1).
bond(m576,a6,a20,1).
bond(m576,a6,a21,1).
bond(m576,a7,a8,1).
bond(m576,a7,a22,1).
bond(m576,a7,a23,1).
bond(m576,a8,a9,1).
bond(m576,a8,a24,1).
bond(m576,a8,a25,1).
bond(m576,a9,a10,1).
bond(m576,a9,a26,1).
bond(m576,a9,a27,1).
bond(m576,a10,a11,1).
bond(m576,a10,a28,1).
bond(m576,a10,a29,1).
bond(m576,a11,a12,1).
bond(m576,a11,a30,1).
bond(m576,a11,a31,1).
bond(m576,a12,a13,1).
bond(m576,a12,a32,1).
bond(m576,a12,a33,1).
bond(m576,a13,a34,1).
bond(m576,a13,a35,1).
bond(m576,a13,a36,1).
bond(m576,a14,a15,ar).
bond(m576,a14,a37,1).
bond(m576,a15,a38,1).
atm(m577,a1,c,c3,7.281,1.398,0.000,-0.211).
atm(m577,a2,s,s3,5.760,2.362,0.047,0.111).
atm(m577,a3,c,c2,4.495,1.167,0.466,-0.165).
atm(m577,a4,c,c3,4.829,-0.049,1.266,-0.103).
atm(m577,a5,n,n2,3.295,1.481,0.079,0.050).
atm(m577,a6,o,o3,2.227,0.632,0.524,-0.224).
atm(m577,a7,c,c2,1.105,0.763,-0.264,0.352).
atm(m577,a8,o,o2,1.119,1.157,-1.413,-0.357).
atm(m577,a9,n,nam,-0.055,0.214,0.375,-0.022).
atm(m577,a10,c,c3,-0.217,0.369,1.831,-0.088).
atm(m577,a11,h,h,8.114,2.101,0.131,0.089).
atm(m577,a12,h,h,7.346,0.639,0.794,0.073).
atm(m577,a13,h,h,7.423,0.886,-0.958,0.074).
atm(m577,a14,h,h,5.917,-0.165,1.408,0.059).
atm(m577,a15,h,h,4.375,-0.001,2.267,0.070).
atm(m577,a16,h,h,4.464,-0.965,0.781,0.070).
atm(m577,a17,h,h,-0.887,0.450,-0.123,0.080).
atm(m577,a18,h,h,0.601,-0.137,2.361,0.057).
atm(m577,a19,h,h,-0.244,1.418,2.161,0.036).
atm(m577,a20,h,h,-1.159,-0.111,2.128,0.050).
bond(m577,a1,a2,1).
bond(m577,a1,a11,1).
bond(m577,a1,a12,1).
bond(m577,a1,a13,1).
bond(m577,a2,a3,1).
bond(m577,a3,a4,1).
bond(m577,a3,a5,2).
bond(m577,a4,a14,1).
bond(m577,a4,a15,1).
bond(m577,a4,a16,1).
bond(m577,a5,a6,1).
bond(m577,a6,a7,1).
bond(m577,a7,a8,2).
bond(m577,a7,a9,1).
bond(m577,a9,a10,1).
bond(m577,a9,a17,1).
bond(m577,a10,a18,1).
bond(m577,a10,a19,1).
bond(m577,a10,a20,1).
atm(m578,a1,n,nar,2.426,0.000,0.000,-0.162).
atm(m578,a2,c,car,1.261,0.704,0.000,0.145).
atm(m578,a3,o,o3,0.107,-0.006,0.000,-0.223).
atm(m578,a4,c,car,1.209,2.110,0.001,-0.186).
atm(m578,a5,c,car,2.414,2.798,0.001,-0.015).
atm(m578,a6,c,car,3.621,2.096,0.001,-0.198).
atm(m578,a7,c,car,3.589,0.702,0.000,-0.054).
atm(m578,a8,cl,cl,5.023,-0.190,0.000,0.100).
atm(m578,a9,h,h,0.314,-0.935,-0.001,0.222).
atm(m578,a10,h,h,0.248,2.635,0.001,0.134).
atm(m578,a11,h,h,2.421,3.893,0.002,0.108).
atm(m578,a12,h,h,4.580,2.624,0.001,0.130).
bond(m578,a1,a2,ar).
bond(m578,a1,a7,ar).
bond(m578,a2,a3,1).
bond(m578,a2,a4,ar).
bond(m578,a3,a9,1).
bond(m578,a4,a5,ar).
bond(m578,a4,a10,1).
bond(m578,a5,a6,ar).
bond(m578,a5,a11,1).
bond(m578,a6,a7,ar).
bond(m578,a6,a12,1).
bond(m578,a7,a8,1).
atm(m579,a1,n,npl3,0.000,0.000,0.000,0.148).
atm(m579,a2,c,car,1.188,0.743,0.000,-0.086).
atm(m579,a3,n,nar,1.130,2.092,0.350,-0.114).
atm(m579,a4,n,nar,2.173,2.816,0.235,0.059).
atm(m579,a5,c,car,3.366,2.302,-0.221,-0.206).
atm(m579,a6,c,c3,4.515,3.242,-0.322,-0.049).
atm(m579,a7,c,car,3.447,0.940,-0.557,0.012).
atm(m579,a8,c,c3,4.693,0.289,-1.041,-0.080).
atm(m579,a9,n,nar,2.337,0.153,-0.438,-0.144).
atm(m579,a10,h,h,0.123,-0.984,0.059,0.051).
atm(m579,a11,h,h,-0.709,0.350,0.603,0.053).
atm(m579,a12,h,h,5.421,2.722,-0.674,0.049).
atm(m579,a13,h,h,4.303,4.057,-1.028,0.058).
atm(m579,a14,h,h,4.748,3.698,0.650,0.058).
atm(m579,a15,h,h,5.524,1.012,-1.095,0.058).
atm(m579,a16,h,h,5.002,-0.528,-0.373,0.065).
atm(m579,a17,h,h,4.556,-0.140,-2.043,0.066).
bond(m579,a1,a2,1).
bond(m579,a1,a10,1).
bond(m579,a1,a11,1).
bond(m579,a2,a3,ar).
bond(m579,a2,a9,ar).
bond(m579,a3,a4,ar).
bond(m579,a4,a5,ar).
bond(m579,a5,a6,1).
bond(m579,a5,a7,ar).
bond(m579,a6,a12,1).
bond(m579,a6,a13,1).
bond(m579,a6,a14,1).
bond(m579,a7,a8,1).
bond(m579,a7,a9,ar).
bond(m579,a8,a15,1).
bond(m579,a8,a16,1).
bond(m579,a8,a17,1).
atm(m57,a1,c,c3,1.212,0.701,0.000,-0.106).
atm(m57,a2,cl,cl,2.634,-0.333,0.000,-0.022).
atm(m57,a3,cl,cl,-0.209,-0.334,0.003,-0.022).
atm(m57,a4,h,h,1.213,1.347,0.893,0.075).
atm(m57,a5,h,h,1.211,1.344,-0.895,0.075).
bond(m57,a1,a2,1).
bond(m57,a1,a3,1).
bond(m57,a1,a4,1).
bond(m57,a1,a5,1).
atm(m580,a1,c,car,4.433,1.744,0.000,-0.242).
atm(m580,a2,c,car,3.120,1.310,0.000,0.085).
atm(m580,a3,c,car,2.068,2.236,-0.002,-0.477).
atm(m580,a4,n,n4,0.647,1.755,-0.001,1.318).
atm(m580,a5,o,oco2,-0.255,2.567,-0.003,-0.588).
atm(m580,a6,o,oco2,0.431,0.560,0.002,-0.598).
atm(m580,a7,c,car,2.352,3.602,-0.004,0.114).
atm(m580,a8,c,car,3.674,4.060,-0.004,-0.487).
atm(m580,a9,n,n4,3.902,5.548,-0.008,1.324).
atm(m580,a10,o,oco2,5.028,5.996,-0.008,-0.584).
atm(m580,a11,o,oco2,2.934,6.283,-0.010,-0.597).
atm(m580,a12,c,car,4.740,3.113,-0.001,0.258).
atm(m580,a13,o,o3,5.959,3.703,0.000,-0.090).
atm(m580,a14,c,car,7.211,3.105,0.006,0.073).
atm(m580,a15,c,car,8.198,4.115,0.000,-0.106).
atm(m580,a16,c,car,9.538,3.759,0.006,-0.050).
atm(m580,a17,c,car,9.862,2.413,0.019,-0.134).
atm(m580,a18,br,br,11.664,1.935,0.027,0.021).
atm(m580,a19,c,car,8.918,1.410,0.025,-0.052).
atm(m580,a20,c,car,7.566,1.756,0.019,-0.156).
atm(m580,a21,h,h,5.214,0.975,0.000,0.144).
atm(m580,a22,h,h,2.913,0.229,0.002,0.136).
atm(m580,a23,h,h,1.518,4.330,-0.006,0.163).
atm(m580,a24,h,h,7.909,5.176,-0.009,0.146).
atm(m580,a25,h,h,10.329,4.517,0.002,0.129).
atm(m580,a26,h,h,9.233,0.361,0.036,0.126).
atm(m580,a27,h,h,6.839,0.939,0.025,0.122).
bond(m580,a1,a2,ar).
bond(m580,a1,a12,ar).
bond(m580,a1,a21,1).
bond(m580,a2,a3,ar).
bond(m580,a2,a22,1).
bond(m580,a3,a4,1).
bond(m580,a3,a7,ar).
bond(m580,a4,a5,2).
bond(m580,a4,a6,1).
bond(m580,a7,a8,ar).
bond(m580,a7,a23,1).
bond(m580,a8,a9,1).
bond(m580,a8,a12,ar).
bond(m580,a9,a10,2).
bond(m580,a9,a11,1).
bond(m580,a12,a13,1).
bond(m580,a13,a14,1).
bond(m580,a14,a15,ar).
bond(m580,a14,a20,ar).
bond(m580,a15,a16,ar).
bond(m580,a15,a24,1).
bond(m580,a16,a17,ar).
bond(m580,a16,a25,1).
bond(m580,a17,a18,1).
bond(m580,a17,a19,ar).
bond(m580,a19,a20,ar).
bond(m580,a19,a26,1).
bond(m580,a20,a27,1).
atm(m581,a1,o,o2,0.000,3.630,0.000,-0.331).
atm(m581,a2,c,c2,0.600,2.577,-0.019,0.341).
atm(m581,a3,c,car,2.081,2.490,-0.003,-0.254).
atm(m581,a4,c,car,2.857,3.631,0.222,0.007).
atm(m581,a5,c,car,4.241,3.567,0.251,-0.171).
atm(m581,a6,c,car,4.894,2.343,0.050,0.021).
atm(m581,a7,n,npl3,6.346,2.316,0.150,-0.018).
atm(m581,a8,c,c3,6.915,1.005,0.589,-0.079).
atm(m581,a9,c,c3,6.761,0.826,2.087,-0.116).
atm(m581,a10,c,c3,7.070,2.877,-1.033,-0.061).
atm(m581,a11,c,c3,6.691,4.312,-1.347,-0.126).
atm(m581,a12,c,car,4.143,1.188,-0.183,-0.261).
atm(m581,a13,c,car,2.744,1.266,-0.208,0.166).
atm(m581,a14,o,o3,1.973,0.161,-0.439,-0.230).
atm(m581,a15,h,h,0.034,1.633,-0.045,0.060).
atm(m581,a16,h,h,2.356,4.595,0.381,0.119).
atm(m581,a17,h,h,4.839,4.478,0.416,0.130).
atm(m581,a18,h,h,6.431,0.157,0.049,0.039).
atm(m581,a19,h,h,7.989,0.978,0.315,0.058).
atm(m581,a20,h,h,5.706,0.807,2.392,0.046).
atm(m581,a21,h,h,7.214,-0.121,2.408,0.039).
atm(m581,a22,h,h,7.250,1.632,2.651,0.052).
atm(m581,a23,h,h,8.149,2.820,-0.782,0.055).
atm(m581,a24,h,h,6.925,2.237,-1.929,0.035).
atm(m581,a25,h,h,7.523,4.834,-1.837,0.045).
atm(m581,a26,h,h,5.828,4.368,-2.025,0.044).
atm(m581,a27,h,h,6.419,4.882,-0.443,0.059).
atm(m581,a28,h,h,4.661,0.226,-0.331,0.126).
atm(m581,a29,h,h,2.551,-0.585,-0.540,0.203).
bond(m581,a1,a2,2).
bond(m581,a2,a3,1).
bond(m581,a2,a15,1).
bond(m581,a3,a4,ar).
bond(m581,a3,a13,ar).
bond(m581,a4,a5,ar).
bond(m581,a4,a16,1).
bond(m581,a5,a6,ar).
bond(m581,a5,a17,1).
bond(m581,a6,a7,1).
bond(m581,a6,a12,ar).
bond(m581,a7,a8,1).
bond(m581,a7,a10,1).
bond(m581,a8,a9,1).
bond(m581,a8,a18,1).
bond(m581,a8,a19,1).
bond(m581,a9,a20,1).
bond(m581,a9,a21,1).
bond(m581,a9,a22,1).
bond(m581,a10,a11,1).
bond(m581,a10,a23,1).
bond(m581,a10,a24,1).
bond(m581,a11,a25,1).
bond(m581,a11,a26,1).
bond(m581,a11,a27,1).
bond(m581,a12,a13,ar).
bond(m581,a12,a28,1).
bond(m581,a13,a14,1).
bond(m581,a14,a29,1).
atm(m582,a1,n,nar,2.426,0.000,0.000,-0.062).
atm(m582,a2,c,car,1.254,0.688,0.001,-0.021).
atm(m582,a3,c,c3,-0.018,-0.086,0.000,-0.071).
atm(m582,a4,c,car,1.243,2.090,0.002,-0.158).
atm(m582,a5,c,car,2.447,2.785,0.003,-0.049).
atm(m582,a6,c,car,3.647,2.081,0.003,-0.156).
atm(m582,a7,c,car,3.594,0.685,0.001,-0.096).
atm(m582,a8,cl,cl,5.024,-0.222,0.000,0.093).
atm(m582,a9,h,h,0.139,-1.173,-0.002,0.065).
atm(m582,a10,h,h,-0.617,0.162,0.886,0.050).
atm(m582,a11,h,h,-0.618,0.165,-0.886,0.050).
atm(m582,a12,h,h,0.288,2.626,0.003,0.118).
atm(m582,a13,h,h,2.452,3.880,0.005,0.109).
atm(m582,a14,h,h,4.611,2.598,0.003,0.126).
bond(m582,a1,a2,ar).
bond(m582,a1,a7,ar).
bond(m582,a2,a3,1).
bond(m582,a2,a4,ar).
bond(m582,a3,a9,1).
bond(m582,a3,a10,1).
bond(m582,a3,a11,1).
bond(m582,a4,a5,ar).
bond(m582,a4,a12,1).
bond(m582,a5,a6,ar).
bond(m582,a5,a13,1).
bond(m582,a6,a7,ar).
bond(m582,a6,a14,1).
bond(m582,a7,a8,1).
atm(m583,a1,c,c1,0.000,0.000,0.000,-0.155).
atm(m583,a2,c,c1,0.584,1.037,0.049,-0.224).
atm(m583,a3,c,c3,1.293,2.318,0.115,0.254).
atm(m583,a4,c,c3,2.815,2.026,0.128,-0.146).
atm(m583,a5,c,c3,3.656,3.292,0.174,-0.110).
atm(m583,a6,c,c3,5.117,2.983,0.501,-0.075).
atm(m583,a7,c,c3,5.966,4.235,0.355,-0.111).
atm(m583,a8,c,c3,5.246,2.414,1.905,-0.121).
atm(m583,a9,c,c3,0.871,3.075,1.381,-0.127).
atm(m583,a10,o,o3,0.924,3.140,-0.986,-0.302).
atm(m583,a11,h,h,-0.523,-0.926,-0.044,0.195).
atm(m583,a12,h,h,3.056,1.398,1.017,0.073).
atm(m583,a13,h,h,3.093,1.415,-0.753,0.056).
atm(m583,a14,h,h,3.592,3.827,-0.794,0.059).
atm(m583,a15,h,h,3.230,3.990,0.931,0.066).
atm(m583,a16,h,h,5.485,2.218,-0.227,0.060).
atm(m583,a17,h,h,7.018,4.030,0.592,0.040).
atm(m583,a18,h,h,5.928,4.629,-0.669,0.040).
atm(m583,a19,h,h,5.627,5.034,1.028,0.041).
atm(m583,a20,h,h,6.261,2.047,2.100,0.041).
atm(m583,a21,h,h,5.012,3.165,2.671,0.042).
atm(m583,a22,h,h,4.546,1.573,2.043,0.045).
atm(m583,a23,h,h,1.535,3.940,1.547,0.057).
atm(m583,a24,h,h,-0.159,3.446,1.313,0.060).
atm(m583,a25,h,h,0.939,2.427,2.264,0.049).
atm(m583,a26,h,h,1.219,2.695,-1.769,0.191).
bond(m583,a1,a2,3).
bond(m583,a1,a11,1).
bond(m583,a2,a3,1).
bond(m583,a3,a4,1).
bond(m583,a3,a9,1).
bond(m583,a3,a10,1).
bond(m583,a4,a5,1).
bond(m583,a4,a12,1).
bond(m583,a4,a13,1).
bond(m583,a5,a6,1).
bond(m583,a5,a14,1).
bond(m583,a5,a15,1).
bond(m583,a6,a7,1).
bond(m583,a6,a8,1).
bond(m583,a6,a16,1).
bond(m583,a7,a17,1).
bond(m583,a7,a18,1).
bond(m583,a7,a19,1).
bond(m583,a8,a20,1).
bond(m583,a8,a21,1).
bond(m583,a8,a22,1).
bond(m583,a9,a23,1).
bond(m583,a9,a24,1).
bond(m583,a9,a25,1).
bond(m583,a10,a26,1).
atm(m584,a1,c,c3,0.000,0.000,0.000,-0.023).
atm(m584,a2,c,car,1.181,0.878,-0.004,-0.130).
atm(m584,a3,c,car,1.264,2.251,-0.011,-0.076).
atm(m584,a4,c,c3,0.253,3.319,-0.017,-0.027).
atm(m584,a5,o,o3,2.605,2.613,-0.013,-0.086).
atm(m584,a6,c,car,3.330,1.439,-0.006,-0.003).
atm(m584,a7,c,c3,4.806,1.497,-0.006,-0.031).
atm(m584,a8,n,nar,2.513,0.390,-0.001,-0.117).
atm(m584,a9,h,h,0.272,-1.063,0.006,0.061).
atm(m584,a10,h,h,-0.622,0.194,0.885,0.043).
atm(m584,a11,h,h,-0.620,0.185,-0.888,0.043).
atm(m584,a12,h,h,0.698,4.322,-0.019,0.058).
atm(m584,a13,h,h,-0.388,3.230,-0.905,0.053).
atm(m584,a14,h,h,-0.392,3.235,0.869,0.053).
atm(m584,a15,h,h,5.177,2.032,0.879,0.057).
atm(m584,a16,h,h,5.239,0.489,-0.001,0.069).
atm(m584,a17,h,h,5.178,2.024,-0.896,0.057).
bond(m584,a1,a2,1).
bond(m584,a1,a9,1).
bond(m584,a1,a10,1).
bond(m584,a1,a11,1).
bond(m584,a2,a3,ar).
bond(m584,a2,a8,ar).
bond(m584,a3,a4,1).
bond(m584,a3,a5,ar).
bond(m584,a4,a12,1).
bond(m584,a4,a13,1).
bond(m584,a4,a14,1).
bond(m584,a5,a6,ar).
bond(m584,a6,a7,1).
bond(m584,a6,a8,ar).
bond(m584,a7,a15,1).
bond(m584,a7,a16,1).
bond(m584,a7,a17,1).
atm(m585,a1,c,c3,0.000,1.402,0.000,-0.180).
atm(m585,a2,c,c2,1.292,2.179,0.001,0.278).
atm(m585,a3,o,o2,1.386,3.268,0.531,-0.315).
atm(m585,a4,c,c3,2.448,1.472,-0.703,-0.131).
atm(m585,a5,c,c3,2.802,0.231,0.105,-0.121).
atm(m585,a6,c,c3,3.665,2.380,-0.917,-0.075).
atm(m585,a7,n,n3,4.427,1.962,-2.135,-0.077).
atm(m585,a8,c,c3,5.001,3.112,-2.870,-0.087).
atm(m585,a9,c,c3,5.440,0.922,-1.854,-0.102).
atm(m585,a10,h,h,0.205,0.343,0.233,0.066).
atm(m585,a11,h,h,-0.728,1.780,0.728,0.068).
atm(m585,a12,h,h,-0.466,1.443,-0.993,0.066).
atm(m585,a13,h,h,2.055,1.151,-1.701,0.094).
atm(m585,a14,h,h,3.549,-0.385,-0.419,0.056).
atm(m585,a15,h,h,3.219,0.487,1.088,0.047).
atm(m585,a16,h,h,1.904,-0.387,0.275,0.046).
atm(m585,a17,h,h,3.327,3.428,-1.057,0.073).
atm(m585,a18,h,h,4.311,2.385,-0.012,0.050).
atm(m585,a19,h,h,5.489,2.747,-3.783,0.046).
atm(m585,a20,h,h,4.195,3.796,-3.166,0.048).
atm(m585,a21,h,h,5.742,3.680,-2.288,0.024).
atm(m585,a22,h,h,6.267,1.273,-1.217,0.025).
atm(m585,a23,h,h,4.951,0.072,-1.348,0.054).
atm(m585,a24,h,h,5.862,0.562,-2.801,0.047).
bond(m585,a1,a2,1).
bond(m585,a1,a10,1).
bond(m585,a1,a11,1).
bond(m585,a1,a12,1).
bond(m585,a2,a3,2).
bond(m585,a2,a4,1).
bond(m585,a4,a5,1).
bond(m585,a4,a6,1).
bond(m585,a4,a13,1).
bond(m585,a5,a14,1).
bond(m585,a5,a15,1).
bond(m585,a5,a16,1).
bond(m585,a6,a7,1).
bond(m585,a6,a17,1).
bond(m585,a6,a18,1).
bond(m585,a7,a8,1).
bond(m585,a7,a9,1).
bond(m585,a8,a19,1).
bond(m585,a8,a20,1).
bond(m585,a8,a21,1).
bond(m585,a9,a22,1).
bond(m585,a9,a23,1).
bond(m585,a9,a24,1).
atm(m586,a1,c,car,6.477,2.530,0.000,-0.205).
atm(m586,a2,c,car,7.787,2.975,0.092,0.035).
atm(m586,a3,c,car,8.851,2.073,-0.038,-0.454).
atm(m586,a4,n,n4,10.260,2.556,0.065,1.315).
atm(m586,a5,o,oco2,10.475,3.738,0.254,-0.605).
atm(m586,a6,o,oco2,11.174,1.763,-0.043,-0.604).
atm(m586,a7,c,car,8.589,0.714,-0.264,0.027).
atm(m586,a8,c,car,7.285,0.259,-0.362,-0.168).
atm(m586,a9,c,car,6.225,1.172,-0.230,0.150).
atm(m586,a10,o,o3,4.977,0.601,-0.326,-0.124).
atm(m586,a11,c,car,3.878,1.462,-0.306,0.037).
atm(m586,a12,c,car,3.004,1.352,0.778,-0.096).
atm(m586,a13,c,car,1.819,2.089,0.777,-0.053).
atm(m586,a14,c,c3,0.867,1.988,1.911,-0.076).
atm(m586,a15,c,car,1.541,2.927,-0.309,-0.135).
atm(m586,a16,cl,cl,0.120,3.832,-0.332,0.083).
atm(m586,a17,c,car,2.419,3.031,-1.386,-0.083).
atm(m586,a18,c,car,3.597,2.296,-1.394,-0.115).
atm(m586,a19,h,h,5.647,3.241,0.104,0.135).
atm(m586,a20,h,h,7.977,4.043,0.270,0.132).
atm(m586,a21,h,h,9.415,-0.005,-0.366,0.133).
atm(m586,a22,h,h,7.084,-0.804,-0.539,0.133).
atm(m586,a23,h,h,3.238,0.684,1.617,0.127).
atm(m586,a24,h,h,1.202,1.274,2.674,0.052).
atm(m586,a25,h,h,0.739,2.965,2.397,0.058).
atm(m586,a26,h,h,-0.123,1.664,1.559,0.059).
atm(m586,a27,h,h,2.172,3.690,-2.226,0.121).
atm(m586,a28,h,h,4.289,2.364,-2.241,0.123).
bond(m586,a1,a2,ar).
bond(m586,a1,a9,ar).
bond(m586,a1,a19,1).
bond(m586,a2,a3,ar).
bond(m586,a2,a20,1).
bond(m586,a3,a4,1).
bond(m586,a3,a7,ar).
bond(m586,a4,a5,2).
bond(m586,a4,a6,1).
bond(m586,a7,a8,ar).
bond(m586,a7,a21,1).
bond(m586,a8,a9,ar).
bond(m586,a8,a22,1).
bond(m586,a9,a10,1).
bond(m586,a10,a11,1).
bond(m586,a11,a12,ar).
bond(m586,a11,a18,ar).
bond(m586,a12,a13,ar).
bond(m586,a12,a23,1).
bond(m586,a13,a14,1).
bond(m586,a13,a15,ar).
bond(m586,a14,a24,1).
bond(m586,a14,a25,1).
bond(m586,a14,a26,1).
bond(m586,a15,a16,1).
bond(m586,a15,a17,ar).
bond(m586,a17,a18,ar).
bond(m586,a17,a27,1).
bond(m586,a18,a28,1).
atm(m587,a1,c,car,2.100,0.000,0.000,-0.071).
atm(m587,a2,c,car,0.709,-0.012,-0.001,-0.103).
atm(m587,a3,c,car,0.003,1.189,-0.014,-0.057).
atm(m587,a4,c,car,0.727,2.365,-0.022,-0.128).
atm(m587,a5,br,br,-0.215,3.977,-0.038,0.014).
atm(m587,a6,c,car,2.107,2.417,-0.017,-0.019).
atm(m587,a7,c,car,2.807,1.208,-0.009,-0.127).
atm(m587,a8,c,c2,4.297,1.225,0.004,0.264).
atm(m587,a9,o,o2,4.972,2.176,0.373,-0.363).
atm(m587,a10,n,nam,4.983,0.098,-0.520,-0.004).
atm(m587,a11,h,h,2.652,-0.951,0.002,0.105).
atm(m587,a12,h,h,0.169,-0.964,0.006,0.111).
atm(m587,a13,h,h,-1.092,1.214,-0.016,0.124).
atm(m587,a14,h,h,2.629,3.382,-0.016,0.143).
atm(m587,a15,h,h,5.940,0.018,-0.260,0.064).
atm(m587,a16,h,h,4.474,-0.756,-0.426,0.047).
bond(m587,a1,a2,ar).
bond(m587,a1,a7,ar).
bond(m587,a1,a11,1).
bond(m587,a2,a3,ar).
bond(m587,a2,a12,1).
bond(m587,a3,a4,ar).
bond(m587,a3,a13,1).
bond(m587,a4,a5,1).
bond(m587,a4,a6,ar).
bond(m587,a6,a7,ar).
bond(m587,a6,a14,1).
bond(m587,a7,a8,1).
bond(m587,a8,a9,2).
bond(m587,a8,a10,1).
bond(m587,a10,a15,1).
bond(m587,a10,a16,1).
atm(m588,a1,c,c3,8.423,2.434,0.000,-0.089).
atm(m588,a2,n,nam,7.727,1.196,-0.412,-0.037).
atm(m588,a3,c,c3,8.188,-0.013,0.307,-0.078).
atm(m588,a4,c,c2,6.340,1.272,-0.757,0.304).
atm(m588,a5,o,o2,5.638,0.279,-0.683,-0.332).
atm(m588,a6,c,c2,5.790,2.591,-1.287,-0.176).
atm(m588,a7,s,s3,6.145,2.835,-2.998,0.127).
atm(m588,a8,c,c3,5.254,4.291,-3.574,-0.198).
atm(m588,a9,n,n2,5.133,3.251,-0.381,-0.027).
atm(m588,a10,o,o3,4.511,4.476,-0.725,-0.197).
atm(m588,a11,c,c2,3.840,5.078,0.320,0.343).
atm(m588,a12,o,o2,3.290,6.072,-0.116,-0.369).
atm(m588,a13,n,nam,3.912,4.650,1.676,0.007).
atm(m588,a14,c,c3,2.883,5.173,2.592,-0.093).
atm(m588,a15,h,h,9.508,2.273,-0.068,0.055).
atm(m588,a16,h,h,8.163,3.262,-0.674,0.060).
atm(m588,a17,h,h,8.184,2.731,1.032,0.038).
atm(m588,a18,h,h,9.286,-0.038,0.298,0.049).
atm(m588,a19,h,h,7.847,-0.038,1.352,0.036).
atm(m588,a20,h,h,7.823,-0.917,-0.199,0.070).
atm(m588,a21,h,h,5.478,4.368,-4.647,0.091).
atm(m588,a22,h,h,4.167,4.215,-3.462,0.084).
atm(m588,a23,h,h,5.575,5.223,-3.095,0.083).
atm(m588,a24,h,h,4.066,3.670,1.788,0.088).
atm(m588,a25,h,h,2.832,6.268,2.519,0.070).
atm(m588,a26,h,h,3.174,4.909,3.617,0.052).
atm(m588,a27,h,h,1.879,4.769,2.398,0.038).
bond(m588,a1,a2,1).
bond(m588,a1,a15,1).
bond(m588,a1,a16,1).
bond(m588,a1,a17,1).
bond(m588,a2,a3,1).
bond(m588,a2,a4,1).
bond(m588,a3,a18,1).
bond(m588,a3,a19,1).
bond(m588,a3,a20,1).
bond(m588,a4,a5,2).
bond(m588,a4,a6,1).
bond(m588,a6,a7,1).
bond(m588,a6,a9,2).
bond(m588,a7,a8,1).
bond(m588,a8,a21,1).
bond(m588,a8,a22,1).
bond(m588,a8,a23,1).
bond(m588,a9,a10,1).
bond(m588,a10,a11,1).
bond(m588,a11,a12,2).
bond(m588,a11,a13,1).
bond(m588,a13,a14,1).
bond(m588,a13,a24,1).
bond(m588,a14,a25,1).
bond(m588,a14,a26,1).
bond(m588,a14,a27,1).
atm(m589,a1,n,npl3,3.641,0.000,0.000,0.049).
atm(m589,a2,c,car,3.617,1.431,0.012,-0.061).
atm(m589,a3,c,car,2.470,2.116,0.466,-0.117).
atm(m589,a4,c,c3,1.282,1.392,1.047,-0.020).
atm(m589,a5,c,c3,0.212,1.222,-0.023,-0.112).
atm(m589,a6,c,c3,0.717,2.132,2.252,-0.120).
atm(m589,a7,c,car,2.419,3.505,0.361,-0.084).
atm(m589,a8,c,car,3.480,4.223,-0.172,-0.127).
atm(m589,a9,c,car,4.616,3.550,-0.599,-0.084).
atm(m589,a10,c,car,4.705,2.161,-0.511,-0.117).
atm(m589,a11,c,c3,5.963,1.487,-0.998,-0.020).
atm(m589,a12,c,c3,7.205,2.264,-0.583,-0.120).
atm(m589,a13,c,c3,5.910,1.338,-2.512,-0.112).
atm(m589,a14,h,h,4.577,-0.345,0.062,0.040).
atm(m589,a15,h,h,3.063,-0.376,0.725,0.040).
atm(m589,a16,h,h,1.597,0.373,1.396,0.059).
atm(m589,a17,h,h,0.596,0.670,-0.889,0.049).
atm(m589,a18,h,h,-0.655,0.672,0.366,0.038).
atm(m589,a19,h,h,-0.149,2.194,-0.386,0.043).
atm(m589,a20,h,h,1.431,2.148,3.085,0.041).
atm(m589,a21,h,h,0.486,3.181,1.999,0.047).
atm(m589,a22,h,h,-0.206,1.662,2.612,0.042).
atm(m589,a23,h,h,1.518,4.023,0.726,0.111).
atm(m589,a24,h,h,3.423,5.312,-0.252,0.104).
atm(m589,a25,h,h,5.477,4.104,-1.004,0.111).
atm(m589,a26,h,h,6.040,0.463,-0.545,0.059).
atm(m589,a27,h,h,8.112,1.831,-1.023,0.042).
atm(m589,a28,h,h,7.140,3.316,-0.909,0.047).
atm(m589,a29,h,h,7.331,2.268,0.507,0.041).
atm(m589,a30,h,h,6.803,0.824,-2.892,0.038).
atm(m589,a31,h,h,5.033,0.758,-2.827,0.049).
atm(m589,a32,h,h,5.855,2.316,-3.009,0.043).
bond(m589,a1,a2,1).
bond(m589,a1,a14,1).
bond(m589,a1,a15,1).
bond(m589,a2,a3,ar).
bond(m589,a2,a10,ar).
bond(m589,a3,a4,1).
bond(m589,a3,a7,ar).
bond(m589,a4,a5,1).
bond(m589,a4,a6,1).
bond(m589,a4,a16,1).
bond(m589,a5,a17,1).
bond(m589,a5,a18,1).
bond(m589,a5,a19,1).
bond(m589,a6,a20,1).
bond(m589,a6,a21,1).
bond(m589,a6,a22,1).
bond(m589,a7,a8,ar).
bond(m589,a7,a23,1).
bond(m589,a8,a9,ar).
bond(m589,a8,a24,1).
bond(m589,a9,a10,ar).
bond(m589,a9,a25,1).
bond(m589,a10,a11,1).
bond(m589,a11,a12,1).
bond(m589,a11,a13,1).
bond(m589,a11,a26,1).
bond(m589,a12,a27,1).
bond(m589,a12,a28,1).
bond(m589,a12,a29,1).
bond(m589,a13,a30,1).
bond(m589,a13,a31,1).
bond(m589,a13,a32,1).
atm(m58,a1,i,i,2.099,2.424,0.000,0.024).
atm(m58,a2,c,c3,1.079,0.750,0.032,-0.215).
atm(m58,a3,i,i,2.597,-0.479,-0.145,0.024).
atm(m58,a4,i,i,0.529,0.750,-1.851,0.024).
atm(m58,a5,h,h,0.329,0.582,0.820,0.144).
bond(m58,a1,a2,1).
bond(m58,a2,a3,1).
bond(m58,a2,a4,1).
bond(m58,a2,a5,1).
atm(m590,a1,c,c3,4.200,2.800,0.000,-0.258).
atm(m590,a2,n,n4,4.222,1.283,-0.047,0.724).
atm(m590,a3,c,c3,4.944,0.788,1.193,-0.258).
atm(m590,a4,c,car,2.834,0.720,-0.132,-0.317).
atm(m590,a5,c,car,2.559,-0.546,0.398,-0.060).
atm(m590,a6,c,car,1.278,-1.074,0.290,-0.071).
atm(m590,a7,c,car,0.272,-0.353,-0.348,-0.021).
atm(m590,a8,c,car,0.550,0.900,-0.887,-0.071).
atm(m590,a9,c,car,1.826,1.439,-0.786,-0.060).
atm(m590,a10,c,c3,4.989,0.835,-1.280,-0.249).
atm(m590,a11,h,h,5.219,3.215,-0.057,0.109).
atm(m590,a12,h,h,3.612,3.215,-0.841,0.112).
atm(m590,a13,h,h,3.736,3.164,0.932,0.113).
atm(m590,a14,h,h,4.472,1.177,2.111,0.113).
atm(m590,a15,h,h,4.916,-0.317,1.254,0.112).
atm(m590,a16,h,h,5.999,1.105,1.193,0.109).
atm(m590,a17,h,h,3.347,-1.130,0.902,0.124).
atm(m590,a18,h,h,1.063,-2.065,0.711,0.134).
atm(m590,a19,h,h,-0.738,-0.774,-0.428,0.131).
atm(m590,a20,h,h,-0.239,1.468,-1.396,0.134).
atm(m590,a21,h,h,2.034,2.431,-1.222,0.124).
atm(m590,a22,h,h,6.022,1.219,-1.277,0.106).
atm(m590,a23,h,h,5.036,-0.265,-1.335,0.110).
atm(m590,a24,h,h,4.496,1.191,-2.200,0.110).
bond(m590,a1,a2,1).
bond(m590,a1,a11,1).
bond(m590,a1,a12,1).
bond(m590,a1,a13,1).
bond(m590,a2,a3,1).
bond(m590,a2,a4,1).
bond(m590,a2,a10,1).
bond(m590,a3,a14,1).
bond(m590,a3,a15,1).
bond(m590,a3,a16,1).
bond(m590,a4,a5,ar).
bond(m590,a4,a9,ar).
bond(m590,a5,a6,ar).
bond(m590,a5,a17,1).
bond(m590,a6,a7,ar).
bond(m590,a6,a18,1).
bond(m590,a7,a8,ar).
bond(m590,a7,a19,1).
bond(m590,a8,a9,ar).
bond(m590,a8,a20,1).
bond(m590,a9,a21,1).
bond(m590,a10,a22,1).
bond(m590,a10,a23,1).
bond(m590,a10,a24,1).
atm(m591,a1,cl,cl,2.100,0.000,0.000,0.249).
atm(m591,a2,c,c2,1.400,1.208,0.000,-0.522).
atm(m591,a3,cl,cl,0.000,1.208,0.000,0.249).
atm(m591,a4,c,c2,2.100,2.423,0.000,-0.315).
atm(m591,a5,cl,cl,1.400,3.631,0.000,0.308).
atm(m591,a6,c,car,3.500,2.423,0.000,-0.092).
atm(m591,a7,c,car,4.192,3.631,0.000,-0.209).
atm(m591,a8,cl,cl,3.500,4.846,0.000,0.282).
atm(m591,a9,c,car,5.592,3.631,0.000,-0.314).
atm(m591,a10,cl,cl,6.293,4.846,0.000,0.278).
atm(m591,a11,c,car,6.293,2.423,0.000,-0.264).
atm(m591,a12,cl,cl,7.693,2.423,0.000,0.295).
atm(m591,a13,c,car,5.592,1.208,0.000,-0.315).
atm(m591,a14,cl,cl,6.293,0.000,0.000,0.276).
atm(m591,a15,c,car,4.192,1.208,0.000,-0.248).
atm(m591,a16,cl,cl,3.500,0.000,0.000,0.344).
bond(m591,a1,a2,1).
bond(m591,a2,a3,1).
bond(m591,a2,a4,2).
bond(m591,a4,a5,1).
bond(m591,a4,a6,1).
bond(m591,a6,a7,ar).
bond(m591,a6,a15,ar).
bond(m591,a7,a8,1).
bond(m591,a7,a9,ar).
bond(m591,a9,a10,1).
bond(m591,a9,a11,ar).
bond(m591,a11,a12,1).
bond(m591,a11,a13,ar).
bond(m591,a13,a14,1).
bond(m591,a13,a15,ar).
bond(m591,a15,a16,1).
atm(m592,a1,c,c3,0.487,1.288,-1.866,-0.162).
atm(m592,a2,c,c3,1.926,1.816,-1.838,0.080).
atm(m592,a3,c,c3,1.970,3.278,-2.286,-0.159).
atm(m592,a4,o,o3,2.780,1.014,-2.635,-0.285).
atm(m592,a5,c,c3,2.514,1.655,-0.375,0.190).
atm(m592,a6,f,f,3.807,2.045,-0.288,-0.118).
atm(m592,a7,c,c3,1.649,2.465,0.700,0.160).
atm(m592,a8,f,f,1.984,3.774,0.725,-0.127).
atm(m592,a9,f,f,1.938,2.042,1.949,-0.124).
atm(m592,a10,f,f,2.561,0.350,-0.006,-0.121).
atm(m592,a11,h,h,0.447,0.204,-1.695,0.073).
atm(m592,a12,h,h,-0.118,1.772,-1.082,0.054).
atm(m592,a13,h,h,0.007,1.492,-2.832,0.058).
atm(m592,a14,h,h,2.970,3.714,-2.152,0.076).
atm(m592,a15,h,h,1.709,3.376,-3.349,0.055).
atm(m592,a16,h,h,2.453,1.069,-3.523,0.199).
atm(m592,a17,h,h,0.559,2.349,0.486,0.091).
atm(m592,a18,h,h,1.258,3.893,-1.720,0.060).
bond(m592,a1,a2,1).
bond(m592,a1,a11,1).
bond(m592,a1,a12,1).
bond(m592,a1,a13,1).
bond(m592,a2,a3,1).
bond(m592,a2,a4,1).
bond(m592,a2,a5,1).
bond(m592,a3,a14,1).
bond(m592,a3,a18,1).
bond(m592,a3,a15,1).
bond(m592,a4,a16,1).
bond(m592,a5,a6,1).
bond(m592,a5,a7,1).
bond(m592,a5,a10,1).
bond(m592,a7,a8,1).
bond(m592,a7,a9,1).
bond(m592,a7,a17,1).
atm(m593,a1,c,c3,0.000,0.698,0.000,-0.108).
atm(m593,a2,c,c3,1.306,-0.063,-0.001,-0.092).
atm(m593,a3,c,c3,2.368,0.589,-0.894,-0.087).
atm(m593,a4,n,n3,1.986,0.479,-2.326,-0.040).
atm(m593,a5,c,c3,3.739,-0.017,-0.600,-0.145).
atm(m593,a6,h,h,0.134,1.732,0.347,0.037).
atm(m593,a7,h,h,-0.448,0.746,-1.001,0.051).
atm(m593,a8,h,h,-0.733,0.222,0.665,0.034).
atm(m593,a9,h,h,1.699,-0.123,1.034,0.048).
atm(m593,a10,h,h,1.134,-1.115,-0.311,0.049).
atm(m593,a11,h,h,2.401,1.685,-0.674,0.072).
atm(m593,a12,h,h,2.705,0.880,-2.891,0.026).
atm(m593,a13,h,h,1.873,-0.482,-2.575,0.025).
atm(m593,a14,h,h,4.526,0.427,-1.225,0.041).
atm(m593,a15,h,h,4.028,0.147,0.446,0.048).
atm(m593,a16,h,h,3.754,-1.102,-0.774,0.041).
bond(m593,a1,a2,1).
bond(m593,a1,a6,1).
bond(m593,a1,a7,1).
bond(m593,a1,a8,1).
bond(m593,a2,a3,1).
bond(m593,a2,a9,1).
bond(m593,a2,a10,1).
bond(m593,a3,a4,1).
bond(m593,a3,a5,1).
bond(m593,a3,a11,1).
bond(m593,a4,a12,1).
bond(m593,a4,a13,1).
bond(m593,a5,a14,1).
bond(m593,a5,a15,1).
bond(m593,a5,a16,1).
atm(m594,a1,c,c3,0.000,1.210,0.000,0.057).
atm(m594,a2,o,o3,0.763,2.391,-0.003,-0.269).
atm(m594,a3,c,c3,2.168,2.181,0.064,0.063).
atm(m594,a4,c,c3,2.821,3.562,0.068,-0.115).
atm(m594,a5,c,c3,4.335,3.411,0.174,-0.090).
atm(m594,a6,n,n3,4.977,4.741,0.213,-0.062).
atm(m594,a7,c,c3,6.441,4.887,0.396,-0.037).
atm(m594,a8,c,car,7.437,3.763,0.335,-0.038).
atm(m594,a9,c,car,8.780,4.155,0.367,-0.199).
atm(m594,a10,c,car,9.813,3.214,0.339,0.061).
atm(m594,a11,o,o3,11.156,3.551,0.383,-0.193).
atm(m594,a12,c,c3,11.490,4.917,0.423,0.050).
atm(m594,a13,c,car,9.517,1.833,0.271,0.028).
atm(m594,a14,o,o3,10.394,0.769,0.225,-0.164).
atm(m594,a15,c,c3,11.760,1.010,0.002,0.027).
atm(m594,a16,c,car,8.154,1.450,0.261,0.083).
atm(m594,a17,o,o3,7.922,0.091,0.179,-0.166).
atm(m594,a18,c,c3,6.592,-0.345,0.326,0.041).
atm(m594,a19,c,car,7.136,2.407,0.298,-0.220).
atm(m594,a20,h,h,0.583,0.280,-0.002,0.024).
atm(m594,a21,h,h,-0.635,1.222,0.891,0.027).
atm(m594,a22,h,h,-0.622,1.257,-0.899,0.030).
atm(m594,a23,h,h,2.420,1.612,0.980,0.028).
atm(m594,a24,h,h,2.500,1.578,-0.804,0.026).
atm(m594,a25,h,h,2.541,4.107,-0.856,0.062).
atm(m594,a26,h,h,2.425,4.165,0.909,0.077).
atm(m594,a27,h,h,4.617,2.872,1.104,0.061).
atm(m594,a28,h,h,4.711,2.772,-0.661,0.036).
atm(m594,a29,h,h,4.724,5.231,-0.620,0.043).
atm(m594,a30,h,h,6.774,5.676,-0.311,0.050).
atm(m594,a31,h,h,6.531,5.324,1.415,0.063).
atm(m594,a32,h,h,9.014,5.227,0.416,0.120).
atm(m594,a33,h,h,12.583,4.881,0.451,0.049).
atm(m594,a34,h,h,11.158,5.455,-0.473,0.030).
atm(m594,a35,h,h,11.110,5.417,1.321,0.032).
atm(m594,a36,h,h,12.124,1.970,0.401,0.066).
atm(m594,a37,h,h,12.251,0.173,0.504,0.044).
atm(m594,a38,h,h,11.961,0.968,-1.074,0.024).
atm(m594,a39,h,h,6.352,-0.470,1.387,0.027).
atm(m594,a40,h,h,6.592,-1.316,-0.174,0.050).
atm(m594,a41,h,h,5.850,0.325,-0.135,0.031).
atm(m594,a42,h,h,6.085,2.063,0.294,0.143).
bond(m594,a1,a2,1).
bond(m594,a1,a20,1).
bond(m594,a1,a21,1).
bond(m594,a1,a22,1).
bond(m594,a2,a3,1).
bond(m594,a3,a4,1).
bond(m594,a3,a23,1).
bond(m594,a3,a24,1).
bond(m594,a4,a5,1).
bond(m594,a4,a25,1).
bond(m594,a4,a26,1).
bond(m594,a5,a6,1).
bond(m594,a5,a27,1).
bond(m594,a5,a28,1).
bond(m594,a6,a7,1).
bond(m594,a6,a29,1).
bond(m594,a7,a8,1).
bond(m594,a7,a30,1).
bond(m594,a7,a31,1).
bond(m594,a8,a9,ar).
bond(m594,a8,a19,ar).
bond(m594,a9,a10,ar).
bond(m594,a9,a32,1).
bond(m594,a10,a11,1).
bond(m594,a10,a13,ar).
bond(m594,a11,a12,1).
bond(m594,a12,a33,1).
bond(m594,a12,a34,1).
bond(m594,a12,a35,1).
bond(m594,a13,a14,1).
bond(m594,a13,a16,ar).
bond(m594,a14,a15,1).
bond(m594,a15,a36,1).
bond(m594,a15,a37,1).
bond(m594,a15,a38,1).
bond(m594,a16,a17,1).
bond(m594,a16,a19,ar).
bond(m594,a17,a18,1).
bond(m594,a18,a39,1).
bond(m594,a18,a40,1).
bond(m594,a18,a41,1).
bond(m594,a19,a42,1).
atm(m595,a1,br,br,0.000,2.423,0.000,-0.104).
atm(m595,a2,c,c3,0.968,0.733,0.079,-0.061).
atm(m595,a3,c,c3,2.420,1.148,0.024,0.047).
atm(m595,a4,o,o3,2.581,2.095,1.085,-0.244).
atm(m595,a5,c,c3,3.910,2.550,1.230,0.057).
atm(m595,a6,c,c3,4.911,1.416,1.444,-0.135).
atm(m595,a7,c,c3,4.792,0.396,0.323,-0.092).
atm(m595,a8,c,c3,3.349,-0.063,0.184,-0.128).
atm(m595,a9,h,h,0.680,0.220,1.010,0.080).
atm(m595,a10,h,h,0.666,0.115,-0.780,0.072).
atm(m595,a11,h,h,2.629,1.670,-0.942,0.066).
atm(m595,a12,h,h,3.829,3.211,2.109,0.061).
atm(m595,a13,h,h,4.191,3.167,0.354,0.035).
atm(m595,a14,h,h,4.735,0.927,2.422,0.061).
atm(m595,a15,h,h,5.936,1.829,1.489,0.058).
atm(m595,a16,h,h,5.452,-0.471,0.518,0.054).
atm(m595,a17,h,h,5.145,0.836,-0.631,0.052).
atm(m595,a18,h,h,3.236,-0.734,-0.688,0.057).
atm(m595,a19,h,h,3.054,-0.658,1.071,0.063).
bond(m595,a1,a2,1).
bond(m595,a2,a3,1).
bond(m595,a2,a9,1).
bond(m595,a2,a10,1).
bond(m595,a3,a4,1).
bond(m595,a3,a8,1).
bond(m595,a3,a11,1).
bond(m595,a4,a5,1).
bond(m595,a5,a6,1).
bond(m595,a5,a12,1).
bond(m595,a5,a13,1).
bond(m595,a6,a7,1).
bond(m595,a6,a14,1).
bond(m595,a6,a15,1).
bond(m595,a7,a8,1).
bond(m595,a7,a16,1).
bond(m595,a7,a17,1).
bond(m595,a8,a18,1).
bond(m595,a8,a19,1).
atm(m596,a1,n,npl3,0.000,0.000,0.000,0.071).
atm(m596,a2,c,car,0.534,1.327,0.007,-0.086).
atm(m596,a3,c,car,-0.123,2.346,0.710,-0.142).
atm(m596,a4,c,car,0.337,3.653,0.628,-0.074).
atm(m596,a5,c,car,1.453,3.966,-0.150,-0.109).
atm(m596,a6,c,c3,1.912,5.384,-0.268,-0.047).
atm(m596,a7,c,c3,3.426,5.531,-0.329,-0.105).
atm(m596,a8,c,c3,4.074,5.353,1.034,-0.106).
atm(m596,a9,c,c3,5.586,5.484,0.949,-0.101).
atm(m596,a10,c,c3,6.233,5.306,2.313,-0.102).
atm(m596,a11,c,c3,7.745,5.436,2.229,-0.102).
atm(m596,a12,c,c3,8.392,5.259,3.593,-0.102).
atm(m596,a13,c,c3,9.904,5.389,3.510,-0.103).
atm(m596,a14,c,c3,10.553,5.212,4.873,-0.098).
atm(m596,a15,c,c3,12.057,5.341,4.791,-0.109).
atm(m596,a16,c,car,2.109,2.945,-0.841,-0.080).
atm(m596,a17,c,car,1.661,1.635,-0.768,-0.138).
atm(m596,a18,h,h,0.711,-0.679,-0.161,0.029).
atm(m596,a19,h,h,-0.499,-0.197,0.839,0.029).
atm(m596,a20,h,h,-1.003,2.122,1.325,0.108).
atm(m596,a21,h,h,-0.184,4.444,1.179,0.103).
atm(m596,a22,h,h,1.462,5.808,-1.189,0.055).
atm(m596,a23,h,h,1.508,5.989,0.569,0.055).
atm(m596,a24,h,h,3.839,4.785,-1.047,0.057).
atm(m596,a25,h,h,3.687,6.525,-0.741,0.051).
atm(m596,a26,h,h,3.669,6.099,1.747,0.051).
atm(m596,a27,h,h,3.799,4.363,1.452,0.058).
atm(m596,a28,h,h,5.991,4.736,0.238,0.050).
atm(m596,a29,h,h,5.858,6.472,0.527,0.050).
atm(m596,a30,h,h,5.828,6.054,3.025,0.051).
atm(m596,a31,h,h,5.961,4.318,2.736,0.051).
atm(m596,a32,h,h,8.150,4.688,1.518,0.051).
atm(m596,a33,h,h,8.017,6.424,1.807,0.051).
atm(m596,a34,h,h,7.987,6.007,4.305,0.051).
atm(m596,a35,h,h,8.120,4.270,4.016,0.051).
atm(m596,a36,h,h,10.310,4.641,2.799,0.051).
atm(m596,a37,h,h,10.177,6.377,3.088,0.051).
atm(m596,a38,h,h,10.147,5.959,5.583,0.048).
atm(m596,a39,h,h,10.280,4.224,5.294,0.048).
atm(m596,a40,h,h,12.359,6.326,4.412,0.038).
atm(m596,a41,h,h,12.522,5.212,5.777,0.037).
atm(m596,a42,h,h,12.493,4.587,4.122,0.038).
atm(m596,a43,h,h,3.000,3.203,-1.433,0.110).
atm(m596,a44,h,h,2.192,0.851,-1.321,0.109).
bond(m596,a1,a2,1).
bond(m596,a1,a18,1).
bond(m596,a1,a19,1).
bond(m596,a2,a3,ar).
bond(m596,a2,a17,ar).
bond(m596,a3,a4,ar).
bond(m596,a3,a20,1).
bond(m596,a4,a5,ar).
bond(m596,a4,a21,1).
bond(m596,a5,a6,1).
bond(m596,a5,a16,ar).
bond(m596,a6,a7,1).
bond(m596,a6,a22,1).
bond(m596,a6,a23,1).
bond(m596,a7,a8,1).
bond(m596,a7,a24,1).
bond(m596,a7,a25,1).
bond(m596,a8,a9,1).
bond(m596,a8,a26,1).
bond(m596,a8,a27,1).
bond(m596,a9,a10,1).
bond(m596,a9,a28,1).
bond(m596,a9,a29,1).
bond(m596,a10,a11,1).
bond(m596,a10,a30,1).
bond(m596,a10,a31,1).
bond(m596,a11,a12,1).
bond(m596,a11,a32,1).
bond(m596,a11,a33,1).
bond(m596,a12,a13,1).
bond(m596,a12,a34,1).
bond(m596,a12,a35,1).
bond(m596,a13,a14,1).
bond(m596,a13,a36,1).
bond(m596,a13,a37,1).
bond(m596,a14,a15,1).
bond(m596,a14,a38,1).
bond(m596,a14,a39,1).
bond(m596,a15,a40,1).
bond(m596,a15,a41,1).
bond(m596,a15,a42,1).
bond(m596,a16,a17,ar).
bond(m596,a16,a43,1).
bond(m596,a17,a44,1).
atm(m597,a1,n,npl3,9.091,4.845,0.000,0.070).
atm(m597,a2,c,car,8.345,3.622,-0.004,-0.113).
atm(m597,a3,c,car,8.889,2.468,0.580,-0.113).
atm(m597,a4,c,car,8.133,1.310,0.678,-0.107).
atm(m597,a5,c,car,6.822,1.301,0.182,0.052).
atm(m597,a6,o,o3,6.171,0.080,0.261,-0.190).
atm(m597,a7,c,c3,4.756,0.110,0.200,0.047).
atm(m597,a8,c,c3,4.125,0.438,1.551,-0.141).
atm(m597,a9,c,c3,2.612,0.322,1.474,-0.096).
atm(m597,a10,c,c3,1.966,0.650,2.810,-0.103).
atm(m597,a11,c,c3,0.452,0.534,2.736,-0.097).
atm(m597,a12,c,c3,-0.193,0.860,4.064,-0.109).
atm(m597,a13,c,car,6.275,2.444,-0.408,-0.151).
atm(m597,a14,c,car,7.035,3.602,-0.498,-0.107).
atm(m597,a15,h,h,10.071,4.672,-0.016,0.029).
atm(m597,a16,h,h,8.823,5.434,-0.757,0.028).
atm(m597,a17,h,h,9.915,2.471,0.969,0.108).
atm(m597,a18,h,h,8.559,0.409,1.134,0.118).
atm(m597,a19,h,h,4.399,0.812,-0.586,0.046).
atm(m597,a20,h,h,4.529,-0.921,-0.123,0.060).
atm(m597,a21,h,h,4.520,-0.239,2.335,0.066).
atm(m597,a22,h,h,4.417,1.460,1.866,0.063).
atm(m597,a23,h,h,2.220,0.999,0.688,0.049).
atm(m597,a24,h,h,2.326,-0.701,1.155,0.051).
atm(m597,a25,h,h,2.359,-0.025,3.596,0.053).
atm(m597,a26,h,h,2.251,1.673,3.128,0.053).
atm(m597,a27,h,h,0.059,1.208,1.949,0.048).
atm(m597,a28,h,h,0.167,-0.489,2.418,0.048).
atm(m597,a29,h,h,0.040,1.883,4.388,0.038).
atm(m597,a30,h,h,-1.286,0.775,4.008,0.037).
atm(m597,a31,h,h,0.148,0.182,4.858,0.038).
atm(m597,a32,h,h,5.245,2.416,-0.794,0.117).
atm(m597,a33,h,h,6.597,4.495,-0.960,0.108).
bond(m597,a1,a2,1).
bond(m597,a1,a15,1).
bond(m597,a1,a16,1).
bond(m597,a2,a3,ar).
bond(m597,a2,a14,ar).
bond(m597,a3,a4,ar).
bond(m597,a3,a17,1).
bond(m597,a4,a5,ar).
bond(m597,a4,a18,1).
bond(m597,a5,a6,1).
bond(m597,a5,a13,ar).
bond(m597,a6,a7,1).
bond(m597,a7,a8,1).
bond(m597,a7,a19,1).
bond(m597,a7,a20,1).
bond(m597,a8,a9,1).
bond(m597,a8,a21,1).
bond(m597,a8,a22,1).
bond(m597,a9,a10,1).
bond(m597,a9,a23,1).
bond(m597,a9,a24,1).
bond(m597,a10,a11,1).
bond(m597,a10,a25,1).
bond(m597,a10,a26,1).
bond(m597,a11,a12,1).
bond(m597,a11,a27,1).
bond(m597,a11,a28,1).
bond(m597,a12,a29,1).
bond(m597,a12,a30,1).
bond(m597,a12,a31,1).
bond(m597,a13,a14,ar).
bond(m597,a13,a32,1).
bond(m597,a14,a33,1).
atm(m598,a1,c,car,2.800,3.639,0.000,-0.331).
atm(m598,a2,n,n4,2.078,4.963,0.061,1.304).
atm(m598,a3,o,oco2,2.478,5.878,-0.623,-0.574).
atm(m598,a4,o,oco2,1.145,5.078,0.828,-0.587).
atm(m598,a5,c,car,4.195,3.649,0.079,-0.034).
atm(m598,a6,c,car,4.895,2.446,0.048,-0.134).
atm(m598,a7,cl,cl,6.572,2.462,0.148,0.113).
atm(m598,a8,c,car,4.222,1.232,-0.068,-0.060).
atm(m598,a9,c,car,2.835,1.225,-0.157,-0.070).
atm(m598,a10,c,car,2.117,2.422,-0.124,-0.058).
atm(m598,a11,c,c2,0.635,2.338,-0.308,0.393).
atm(m598,a12,o,o2,0.032,2.571,-1.332,-0.312).
atm(m598,a13,o,o3,-0.223,1.909,0.659,-0.215).
atm(m598,a14,c,c3,0.263,1.722,1.968,0.044).
atm(m598,a15,h,h,4.753,4.594,0.155,0.141).
atm(m598,a16,h,h,4.786,0.292,-0.095,0.127).
atm(m598,a17,h,h,2.301,0.272,-0.262,0.126).
atm(m598,a18,h,h,0.591,2.667,2.415,0.046).
atm(m598,a19,h,h,-0.611,1.337,2.498,0.060).
atm(m598,a20,h,h,1.080,0.991,1.998,0.022).
bond(m598,a1,a2,1).
bond(m598,a1,a5,ar).
bond(m598,a1,a10,ar).
bond(m598,a2,a3,2).
bond(m598,a2,a4,1).
bond(m598,a5,a6,ar).
bond(m598,a5,a15,1).
bond(m598,a6,a7,1).
bond(m598,a6,a8,ar).
bond(m598,a8,a9,ar).
bond(m598,a8,a16,1).
bond(m598,a9,a10,ar).
bond(m598,a9,a17,1).
bond(m598,a10,a11,1).
bond(m598,a11,a12,2).
bond(m598,a11,a13,1).
bond(m598,a13,a14,1).
bond(m598,a14,a18,1).
bond(m598,a14,a19,1).
bond(m598,a14,a20,1).
atm(m599,a1,c,car,3.496,2.421,0.000,-0.063).
atm(m599,a2,c,c2,4.228,3.735,-0.023,0.269).
atm(m599,a3,o,o2,3.651,4.792,0.081,-0.290).
atm(m599,a4,c,car,4.186,1.195,0.122,-0.420).
atm(m599,a5,n,n4,5.675,1.118,0.240,1.312).
atm(m599,a6,o,oco2,6.192,0.085,0.611,-0.588).
atm(m599,a7,o,oco2,6.360,2.088,-0.039,-0.611).
atm(m599,a8,c,car,3.464,-0.006,0.134,0.024).
atm(m599,a9,c,car,2.082,-0.010,0.022,-0.207).
atm(m599,a10,c,car,1.404,1.209,-0.099,0.153).
atm(m599,a11,o,o3,0.053,1.305,-0.215,-0.208).
atm(m599,a12,c,car,2.112,2.423,-0.108,-0.116).
atm(m599,a13,h,h,5.334,3.669,-0.141,0.131).
atm(m599,a14,h,h,3.984,-0.970,0.235,0.133).
atm(m599,a15,h,h,1.539,-0.963,0.032,0.124).
atm(m599,a16,h,h,-0.316,0.430,-0.191,0.207).
atm(m599,a17,h,h,1.568,3.375,-0.196,0.150).
bond(m599,a1,a2,1).
bond(m599,a1,a4,ar).
bond(m599,a1,a12,ar).
bond(m599,a2,a3,2).
bond(m599,a2,a13,1).
bond(m599,a4,a5,1).
bond(m599,a4,a8,ar).
bond(m599,a5,a6,2).
bond(m599,a5,a7,1).
bond(m599,a8,a9,ar).
bond(m599,a8,a14,1).
bond(m599,a9,a10,ar).
bond(m599,a9,a15,1).
bond(m599,a10,a11,1).
bond(m599,a10,a12,ar).
bond(m599,a11,a16,1).
bond(m599,a12,a17,1).
atm(m59,a1,n,n4,1.400,1.400,0.000,0.623).
atm(m59,a2,c,c3,1.555,0.161,0.862,-0.239).
atm(m59,a3,c,c3,0.030,1.395,-0.650,-0.239).
atm(m59,a4,c,c3,1.546,2.638,0.864,-0.239).
atm(m59,a5,c,c3,2.470,1.405,-1.075,-0.239).
atm(m59,a6,h,h,2.544,0.137,1.348,0.111).
atm(m59,a7,h,h,0.789,0.131,1.654,0.111).
atm(m59,a8,h,h,1.454,-0.757,0.259,0.111).
atm(m59,a9,h,h,-0.770,1.391,0.109,0.111).
atm(m59,a10,h,h,-0.105,0.505,-1.286,0.111).
atm(m59,a11,h,h,-0.112,2.286,-1.284,0.111).
atm(m59,a12,h,h,2.535,2.669,1.351,0.111).
atm(m59,a13,h,h,1.438,3.557,0.263,0.111).
atm(m59,a14,h,h,0.779,2.662,1.656,0.111).
atm(m59,a15,h,h,2.382,2.296,-1.719,0.111).
atm(m59,a16,h,h,3.479,1.409,-0.632,0.111).
atm(m59,a17,h,h,2.389,0.514,-1.720,0.111).
bond(m59,a1,a2,1).
bond(m59,a1,a3,1).
bond(m59,a1,a4,1).
bond(m59,a1,a5,1).
bond(m59,a2,a6,1).
bond(m59,a2,a7,1).
bond(m59,a2,a8,1).
bond(m59,a3,a9,1).
bond(m59,a3,a10,1).
bond(m59,a3,a11,1).
bond(m59,a4,a12,1).
bond(m59,a4,a13,1).
bond(m59,a4,a14,1).
bond(m59,a5,a15,1).
bond(m59,a5,a16,1).
bond(m59,a5,a17,1).
atm(m5,a1,c,c3,2.800,3.639,0.000,-0.071).
atm(m5,a2,c,car,2.035,2.364,0.018,-0.106).
atm(m5,a3,c,car,2.628,1.121,0.316,-0.043).
atm(m5,a4,n,nam,4.017,1.054,0.667,0.015).
atm(m5,a5,c,c2,4.729,-0.172,0.595,0.227).
atm(m5,a6,o,o2,5.942,-0.110,0.618,-0.358).
atm(m5,a7,c,car,1.850,-0.046,0.319,-0.152).
atm(m5,a8,c,car,0.493,0.013,0.033,-0.060).
atm(m5,a9,c,car,-0.107,1.232,-0.258,-0.127).
atm(m5,a10,c,car,0.665,2.389,-0.262,-0.099).
atm(m5,a11,cl,cl,-0.095,3.854,-0.619,0.072).
atm(m5,a12,h,h,3.891,3.490,-0.003,0.048).
atm(m5,a13,h,h,2.549,4.233,-0.890,0.060).
atm(m5,a14,h,h,2.553,4.246,0.882,0.059).
atm(m5,a15,h,h,4.521,1.909,0.521,0.097).
atm(m5,a16,h,h,4.139,-1.108,0.575,0.097).
atm(m5,a17,h,h,2.319,-1.015,0.546,0.113).
atm(m5,a18,h,h,-0.105,-0.904,0.039,0.107).
atm(m5,a19,h,h,-1.178,1.289,-0.482,0.121).
bond(m5,a1,a2,1).
bond(m5,a1,a12,1).
bond(m5,a1,a13,1).
bond(m5,a1,a14,1).
bond(m5,a2,a3,ar).
bond(m5,a2,a10,ar).
bond(m5,a3,a4,1).
bond(m5,a3,a7,ar).
bond(m5,a4,a5,1).
bond(m5,a4,a15,1).
bond(m5,a5,a6,2).
bond(m5,a5,a16,1).
bond(m5,a7,a8,ar).
bond(m5,a7,a17,1).
bond(m5,a8,a9,ar).
bond(m5,a8,a18,1).
bond(m5,a9,a10,ar).
bond(m5,a9,a19,1).
bond(m5,a10,a11,1).
atm(m600,a1,c,car,3.633,4.190,0.000,-0.081).
atm(m600,a2,c,car,4.026,2.877,0.227,-0.101).
atm(m600,a3,c,car,3.087,1.854,0.131,-0.123).
atm(m600,a4,cl,cl,3.559,0.261,0.406,0.070).
atm(m600,a5,c,car,1.762,2.134,-0.192,-0.098).
atm(m600,a6,c,car,1.378,3.449,-0.420,-0.093).
atm(m600,a7,c,car,2.306,4.489,-0.325,-0.073).
atm(m600,a8,c,c3,1.924,5.926,-0.561,-0.024).
atm(m600,a9,c,c3,0.962,6.492,0.510,-0.062).
atm(m600,a10,c,c3,-0.438,5.904,0.445,-0.142).
atm(m600,a11,c,c3,1.553,6.309,1.898,-0.120).
atm(m600,a12,c,c2,1.383,6.192,-1.964,0.371).
atm(m600,a13,o,o2,0.776,7.170,-2.344,-0.350).
atm(m600,a14,o,o3,1.706,5.218,-2.878,-0.265).
atm(m600,a15,c,c3,1.119,5.176,-4.174,0.307).
atm(m600,a16,c,c1,1.504,6.331,-4.993,-0.181).
atm(m600,a17,n,n1,1.838,7.229,-5.643,-0.031).
atm(m600,a18,c,car,-0.373,4.918,-4.200,-0.095).
atm(m600,a19,c,car,-1.106,5.216,-5.350,-0.106).
atm(m600,a20,c,car,-2.464,4.926,-5.416,-0.066).
atm(m600,a21,c,car,-3.114,4.335,-4.340,-0.142).
atm(m600,a22,c,car,-2.376,4.033,-3.191,0.075).
atm(m600,a23,o,o3,-2.936,3.536,-2.023,-0.136).
atm(m600,a24,c,car,-3.998,2.651,-2.166,0.058).
atm(m600,a25,c,car,-3.972,1.569,-3.053,-0.144).
atm(m600,a26,c,car,-5.028,0.665,-3.043,-0.077).
atm(m600,a27,c,car,-6.091,0.835,-2.161,-0.118).
atm(m600,a28,c,car,-6.107,1.913,-1.282,-0.080).
atm(m600,a29,c,car,-5.064,2.832,-1.277,-0.120).
atm(m600,a30,c,car,-1.007,4.315,-3.114,-0.129).
atm(m600,a31,h,h,4.374,4.995,0.075,0.109).
atm(m600,a32,h,h,5.066,2.643,0.481,0.119).
atm(m600,a33,h,h,1.031,1.320,-0.267,0.120).
atm(m600,a34,h,h,0.327,3.682,-0.675,0.126).
atm(m600,a35,h,h,2.863,6.538,-0.503,0.090).
atm(m600,a36,h,h,0.873,7.591,0.313,0.079).
atm(m600,a37,h,h,-0.943,6.168,-0.495,0.056).
atm(m600,a38,h,h,-0.432,4.804,0.508,0.052).
atm(m600,a39,h,h,-1.059,6.280,1.269,0.052).
atm(m600,a40,h,h,2.549,6.766,1.975,0.041).
atm(m600,a41,h,h,0.916,6.774,2.662,0.047).
atm(m600,a42,h,h,1.657,5.246,2.158,0.050).
atm(m600,a43,h,h,1.649,4.274,-4.574,0.091).
atm(m600,a44,h,h,-0.615,5.688,-6.210,0.118).
atm(m600,a45,h,h,-3.028,5.171,-6.322,0.108).
atm(m600,a46,h,h,-4.186,4.107,-4.390,0.125).
atm(m600,a47,h,h,-3.134,1.439,-3.746,0.120).
atm(m600,a48,h,h,-5.019,-0.186,-3.732,0.105).
atm(m600,a49,h,h,-6.918,0.117,-2.159,0.107).
atm(m600,a50,h,h,-6.945,2.041,-0.590,0.105).
atm(m600,a51,h,h,-5.072,3.680,-0.582,0.121).
atm(m600,a52,h,h,-0.450,4.068,-2.191,0.134).
bond(m600,a1,a2,ar).
bond(m600,a1,a7,ar).
bond(m600,a1,a31,1).
bond(m600,a2,a3,ar).
bond(m600,a2,a32,1).
bond(m600,a3,a4,1).
bond(m600,a3,a5,ar).
bond(m600,a5,a6,ar).
bond(m600,a5,a33,1).
bond(m600,a6,a7,ar).
bond(m600,a6,a34,1).
bond(m600,a7,a8,1).
bond(m600,a8,a9,1).
bond(m600,a8,a12,1).
bond(m600,a8,a35,1).
bond(m600,a9,a10,1).
bond(m600,a9,a11,1).
bond(m600,a9,a36,1).
bond(m600,a10,a37,1).
bond(m600,a10,a38,1).
bond(m600,a10,a39,1).
bond(m600,a11,a40,1).
bond(m600,a11,a41,1).
bond(m600,a11,a42,1).
bond(m600,a12,a13,2).
bond(m600,a12,a14,1).
bond(m600,a14,a15,1).
bond(m600,a15,a16,1).
bond(m600,a15,a18,1).
bond(m600,a15,a43,1).
bond(m600,a16,a17,3).
bond(m600,a18,a19,ar).
bond(m600,a18,a30,ar).
bond(m600,a19,a20,ar).
bond(m600,a19,a44,1).
bond(m600,a20,a21,ar).
bond(m600,a20,a45,1).
bond(m600,a21,a22,ar).
bond(m600,a21,a46,1).
bond(m600,a22,a23,1).
bond(m600,a22,a30,ar).
bond(m600,a23,a24,1).
bond(m600,a24,a25,ar).
bond(m600,a24,a29,ar).
bond(m600,a25,a26,ar).
bond(m600,a25,a47,1).
bond(m600,a26,a27,ar).
bond(m600,a26,a48,1).
bond(m600,a27,a28,ar).
bond(m600,a27,a49,1).
bond(m600,a28,a29,ar).
bond(m600,a28,a50,1).
bond(m600,a29,a51,1).
bond(m600,a30,a52,1).
atm(m601,a1,c,car,6.975,3.632,0.000,-0.097).
atm(m601,a2,c,car,6.529,2.420,0.516,-0.083).
atm(m601,a3,c,car,5.229,1.989,0.282,-0.136).
atm(m601,a4,c,car,4.377,2.790,-0.485,0.060).
atm(m601,a5,o,o3,3.032,2.501,-0.676,-0.132).
atm(m601,a6,c,car,2.712,1.190,-1.001,0.069).
atm(m601,a7,c,car,3.513,0.369,-1.801,-0.156).
atm(m601,a8,c,car,3.050,-0.895,-2.146,-0.073).
atm(m601,a9,c,car,1.806,-1.334,-1.706,-0.127).
atm(m601,a10,c,car,1.014,-0.508,-0.913,-0.077).
atm(m601,a11,c,car,1.458,0.757,-0.550,-0.128).
atm(m601,a12,c,car,4.812,4.011,-1.013,-0.096).
atm(m601,a13,c,car,6.118,4.428,-0.761,-0.086).
atm(m601,a14,c,c3,6.599,5.744,-1.304,0.119).
atm(m601,a15,o,o3,7.161,5.460,-2.589,-0.258).
atm(m601,a16,c,c2,7.672,6.498,-3.312,0.404).
atm(m601,a17,o,o2,7.636,7.622,-2.852,-0.378).
atm(m601,a18,c,c3,8.195,6.091,-4.655,-0.143).
atm(m601,a19,c,c3,9.679,6.065,-4.948,-0.062).
atm(m601,a20,c,c3,10.126,6.601,-6.281,-0.091).
atm(m601,a21,c,c3,10.670,6.344,-3.853,-0.087).
atm(m601,a22,c,c3,8.892,4.769,-4.875,-0.086).
atm(m601,a23,c,c2,8.585,4.025,-6.105,-0.126).
atm(m601,a24,c,c2,8.202,2.744,-6.114,-0.231).
atm(m601,a25,cl,cl,7.866,1.940,-7.556,0.090).
atm(m601,a26,cl,cl,8.021,1.806,-4.736,0.107).
atm(m601,a27,h,h,8.002,3.964,0.192,0.109).
atm(m601,a28,h,h,7.206,1.801,1.114,0.106).
atm(m601,a29,h,h,4.876,1.034,0.688,0.122).
atm(m601,a30,h,h,4.493,0.717,-2.148,0.122).
atm(m601,a31,h,h,3.670,-1.546,-2.772,0.104).
atm(m601,a32,h,h,1.448,-2.330,-1.984,0.106).
atm(m601,a33,h,h,0.034,-0.857,-0.571,0.103).
atm(m601,a34,h,h,0.833,1.409,0.071,0.121).
atm(m601,a35,h,h,4.135,4.634,-1.610,0.125).
atm(m601,a36,h,h,5.769,6.469,-1.406,0.056).
atm(m601,a37,h,h,7.368,6.195,-0.648,0.053).
atm(m601,a38,h,h,7.520,6.466,-5.450,0.123).
atm(m601,a39,h,h,11.177,6.350,-6.476,0.051).
atm(m601,a40,h,h,9.528,6.181,-7.108,0.047).
atm(m601,a41,h,h,10.029,7.694,-6.312,0.054).
atm(m601,a42,h,h,10.322,5.983,-2.876,0.046).
atm(m601,a43,h,h,11.629,5.854,-4.066,0.050).
atm(m601,a44,h,h,10.856,7.423,-3.762,0.056).
atm(m601,a45,h,h,9.064,4.111,-3.999,0.121).
atm(m601,a46,h,h,8.696,4.585,-7.050,0.129).
bond(m601,a1,a2,ar).
bond(m601,a1,a13,ar).
bond(m601,a1,a27,1).
bond(m601,a2,a3,ar).
bond(m601,a2,a28,1).
bond(m601,a3,a4,ar).
bond(m601,a3,a29,1).
bond(m601,a4,a5,1).
bond(m601,a4,a12,ar).
bond(m601,a5,a6,1).
bond(m601,a6,a7,ar).
bond(m601,a6,a11,ar).
bond(m601,a7,a8,ar).
bond(m601,a7,a30,1).
bond(m601,a8,a9,ar).
bond(m601,a8,a31,1).
bond(m601,a9,a10,ar).
bond(m601,a9,a32,1).
bond(m601,a10,a11,ar).
bond(m601,a10,a33,1).
bond(m601,a11,a34,1).
bond(m601,a12,a13,ar).
bond(m601,a12,a35,1).
bond(m601,a13,a14,1).
bond(m601,a14,a15,1).
bond(m601,a14,a36,1).
bond(m601,a14,a37,1).
bond(m601,a15,a16,1).
bond(m601,a16,a17,2).
bond(m601,a16,a18,1).
bond(m601,a18,a19,1).
bond(m601,a18,a22,1).
bond(m601,a18,a38,1).
bond(m601,a19,a20,1).
bond(m601,a19,a21,1).
bond(m601,a19,a22,1).
bond(m601,a20,a39,1).
bond(m601,a20,a40,1).
bond(m601,a20,a41,1).
bond(m601,a21,a42,1).
bond(m601,a21,a43,1).
bond(m601,a21,a44,1).
bond(m601,a22,a23,1).
bond(m601,a22,a45,1).
bond(m601,a23,a24,2).
bond(m601,a23,a46,1).
bond(m601,a24,a25,1).
bond(m601,a24,a26,1).
atm(m602,a1,c,c3,0.000,0.000,0.000,-0.099).
atm(m602,a2,c,c3,1.135,0.984,0.119,-0.159).
atm(m602,a3,s,s3,2.583,0.362,-0.805,-0.050).
atm(m602,a4,c,c3,3.795,1.692,-0.494,-0.169).
atm(m602,a5,c,c3,5.099,1.354,-1.187,-0.091).
atm(m602,a6,c,c3,6.134,2.445,-0.948,-0.091).
atm(m602,a7,c,c3,7.440,2.107,-1.641,-0.169).
atm(m602,a8,s,s3,8.650,3.438,-1.332,-0.050).
atm(m602,a9,c,c3,10.096,2.818,-2.261,-0.159).
atm(m602,a10,c,c3,11.230,3.805,-2.146,-0.099).
atm(m602,a11,h,h,0.266,-0.984,0.410,0.054).
atm(m602,a12,h,h,-0.882,0.357,0.549,0.043).
atm(m602,a13,h,h,-0.303,-0.150,-1.045,0.054).
atm(m602,a14,h,h,0.836,1.974,-0.270,0.069).
atm(m602,a15,h,h,1.404,1.143,1.180,0.068).
atm(m602,a16,h,h,3.401,2.660,-0.856,0.072).
atm(m602,a17,h,h,3.953,1.818,0.594,0.072).
atm(m602,a18,h,h,5.483,0.380,-0.823,0.067).
atm(m602,a19,h,h,4.930,1.223,-2.276,0.067).
atm(m602,a20,h,h,5.751,3.420,-1.314,0.067).
atm(m602,a21,h,h,6.303,2.578,0.140,0.067).
atm(m602,a22,h,h,7.834,1.140,-1.276,0.072).
atm(m602,a23,h,h,7.281,1.978,-2.728,0.072).
atm(m602,a24,h,h,10.399,1.829,-1.871,0.069).
atm(m602,a25,h,h,9.824,2.657,-3.320,0.068).
atm(m602,a26,h,h,12.110,3.449,-2.698,0.043).
atm(m602,a27,h,h,10.960,4.787,-2.557,0.054).
atm(m602,a28,h,h,11.536,3.956,-1.102,0.054).
bond(m602,a1,a2,1).
bond(m602,a1,a11,1).
bond(m602,a1,a12,1).
bond(m602,a1,a13,1).
bond(m602,a2,a3,1).
bond(m602,a2,a14,1).
bond(m602,a2,a15,1).
bond(m602,a3,a4,1).
bond(m602,a4,a5,1).
bond(m602,a4,a16,1).
bond(m602,a4,a17,1).
bond(m602,a5,a6,1).
bond(m602,a5,a18,1).
bond(m602,a5,a19,1).
bond(m602,a6,a7,1).
bond(m602,a6,a20,1).
bond(m602,a6,a21,1).
bond(m602,a7,a8,1).
bond(m602,a7,a22,1).
bond(m602,a7,a23,1).
bond(m602,a8,a9,1).
bond(m602,a9,a10,1).
bond(m602,a9,a24,1).
bond(m602,a9,a25,1).
bond(m602,a10,a26,1).
bond(m602,a10,a27,1).
bond(m602,a10,a28,1).
atm(m603,a1,c,c3,14.583,2.800,0.000,-0.109).
atm(m603,a2,c,c3,13.277,2.039,0.021,-0.097).
atm(m603,a3,c,c3,12.084,2.981,-0.002,-0.103).
atm(m603,a4,c,c3,10.771,2.215,0.020,-0.101).
atm(m603,a5,c,c3,9.580,3.160,-0.003,-0.102).
atm(m603,a6,c,c3,8.268,2.393,0.020,-0.098).
atm(m603,a7,c,c3,7.079,3.340,-0.004,-0.116).
atm(m603,a8,c,c3,5.774,2.550,0.021,0.049).
atm(m603,a9,o,o3,4.719,3.510,0.041,-0.188).
atm(m603,a10,c,car,3.457,3.028,-0.242,0.072).
atm(m603,a11,c,car,3.222,1.894,-1.025,-0.162).
atm(m603,a12,c,car,1.921,1.500,-1.307,-0.080).
atm(m603,a13,c,car,0.850,2.230,-0.808,-0.110).
atm(m603,a14,c,car,1.070,3.357,-0.025,-0.123).
atm(m603,a15,c,car,2.370,3.782,0.268,-0.095).
atm(m603,a16,n,nam,2.647,4.942,1.070,0.055).
atm(m603,a17,c,c2,1.740,6.011,1.309,0.234).
atm(m603,a18,o,o2,1.944,6.634,2.343,-0.376).
atm(m603,a19,c,c3,0.696,6.395,0.298,-0.135).
atm(m603,a20,h,h,15.443,2.117,0.016,0.037).
atm(m603,a21,h,h,14.675,3.423,-0.900,0.038).
atm(m603,a22,h,h,14.678,3.466,0.868,0.038).
atm(m603,a23,h,h,13.227,1.348,-0.845,0.048).
atm(m603,a24,h,h,13.230,1.393,0.919,0.048).
atm(m603,a25,h,h,12.133,3.673,0.863,0.052).
atm(m603,a26,h,h,12.131,3.628,-0.901,0.052).
atm(m603,a27,h,h,10.723,1.523,-0.845,0.050).
atm(m603,a28,h,h,10.725,1.569,0.919,0.051).
atm(m603,a29,h,h,9.629,3.852,0.862,0.054).
atm(m603,a30,h,h,9.626,3.806,-0.903,0.053).
atm(m603,a31,h,h,8.219,1.701,-0.845,0.050).
atm(m603,a32,h,h,8.222,1.748,0.920,0.052).
atm(m603,a33,h,h,7.128,4.034,0.860,0.066).
atm(m603,a34,h,h,7.122,3.985,-0.905,0.065).
atm(m603,a35,h,h,5.691,1.877,-0.861,0.045).
atm(m603,a36,h,h,5.696,1.919,0.926,0.040).
atm(m603,a37,h,h,4.076,1.321,-1.418,0.121).
atm(m603,a38,h,h,1.743,0.613,-1.923,0.105).
atm(m603,a39,h,h,-0.176,1.916,-1.027,0.107).
atm(m603,a40,h,h,0.205,3.921,0.356,0.117).
atm(m603,a41,h,h,3.318,4.768,1.790,0.093).
atm(m603,a42,h,h,-0.114,5.647,0.274,0.065).
atm(m603,a43,h,h,0.246,7.367,0.539,0.072).
atm(m603,a44,h,h,1.119,6.462,-0.712,0.068).
bond(m603,a1,a2,1).
bond(m603,a1,a20,1).
bond(m603,a1,a21,1).
bond(m603,a1,a22,1).
bond(m603,a2,a3,1).
bond(m603,a2,a23,1).
bond(m603,a2,a24,1).
bond(m603,a3,a4,1).
bond(m603,a3,a25,1).
bond(m603,a3,a26,1).
bond(m603,a4,a5,1).
bond(m603,a4,a27,1).
bond(m603,a4,a28,1).
bond(m603,a5,a6,1).
bond(m603,a5,a29,1).
bond(m603,a5,a30,1).
bond(m603,a6,a7,1).
bond(m603,a6,a31,1).
bond(m603,a6,a32,1).
bond(m603,a7,a8,1).
bond(m603,a7,a33,1).
bond(m603,a7,a34,1).
bond(m603,a8,a9,1).
bond(m603,a8,a35,1).
bond(m603,a8,a36,1).
bond(m603,a9,a10,1).
bond(m603,a10,a11,ar).
bond(m603,a10,a15,ar).
bond(m603,a11,a12,ar).
bond(m603,a11,a37,1).
bond(m603,a12,a13,ar).
bond(m603,a12,a38,1).
bond(m603,a13,a14,ar).
bond(m603,a13,a39,1).
bond(m603,a14,a15,ar).
bond(m603,a14,a40,1).
bond(m603,a15,a16,1).
bond(m603,a16,a17,1).
bond(m603,a16,a41,1).
bond(m603,a17,a18,2).
bond(m603,a17,a19,1).
bond(m603,a19,a42,1).
bond(m603,a19,a43,1).
bond(m603,a19,a44,1).
atm(m604,a1,c,car,2.800,2.608,0.000,-0.070).
atm(m604,a2,c,car,4.187,2.600,-0.001,-0.120).
atm(m604,a3,c,car,4.893,1.394,0.010,-0.040).
atm(m604,a4,c,c3,6.408,1.387,-0.031,0.000).
atm(m604,a5,c,c3,6.973,0.147,0.664,-0.119).
atm(m604,a6,c,c3,6.830,1.380,-1.502,-0.112).
atm(m604,a7,c,c3,6.985,2.626,0.656,-0.118).
atm(m604,a8,c,car,4.176,0.196,0.006,-0.123).
atm(m604,a9,c,car,2.786,0.197,0.004,-0.034).
atm(m604,a10,c,car,2.088,1.405,0.005,-0.141).
atm(m604,a11,c,c2,0.600,1.395,-0.003,0.268).
atm(m604,a12,o,o2,-0.086,0.449,-0.369,-0.371).
atm(m604,a13,n,nam,-0.080,2.527,0.520,-0.008).
atm(m604,a14,h,h,2.259,3.565,0.001,0.102).
atm(m604,a15,h,h,4.749,3.547,-0.009,0.118).
atm(m604,a16,h,h,8.059,0.075,0.524,0.047).
atm(m604,a17,h,h,6.777,0.167,1.744,0.047).
atm(m604,a18,h,h,6.519,-0.775,0.266,0.048).
atm(m604,a19,h,h,7.924,1.373,-1.604,0.044).
atm(m604,a20,h,h,6.443,0.494,-2.022,0.046).
atm(m604,a21,h,h,6.453,2.267,-2.028,0.044).
atm(m604,a22,h,h,6.540,3.550,0.251,0.046).
atm(m604,a23,h,h,6.788,2.616,1.736,0.047).
atm(m604,a24,h,h,8.072,2.687,0.515,0.047).
atm(m604,a25,h,h,4.729,-0.757,0.004,0.120).
atm(m604,a26,h,h,2.236,-0.752,-0.004,0.124).
atm(m604,a27,h,h,0.435,3.378,0.427,0.047).
atm(m604,a28,h,h,-1.036,2.615,0.255,0.061).
bond(m604,a1,a2,ar).
bond(m604,a1,a10,ar).
bond(m604,a1,a14,1).
bond(m604,a2,a3,ar).
bond(m604,a2,a15,1).
bond(m604,a3,a4,1).
bond(m604,a3,a8,ar).
bond(m604,a4,a5,1).
bond(m604,a4,a6,1).
bond(m604,a4,a7,1).
bond(m604,a5,a16,1).
bond(m604,a5,a17,1).
bond(m604,a5,a18,1).
bond(m604,a6,a19,1).
bond(m604,a6,a20,1).
bond(m604,a6,a21,1).
bond(m604,a7,a22,1).
bond(m604,a7,a23,1).
bond(m604,a7,a24,1).
bond(m604,a8,a9,ar).
bond(m604,a8,a25,1).
bond(m604,a9,a10,ar).
bond(m604,a9,a26,1).
bond(m604,a10,a11,1).
bond(m604,a11,a12,2).
bond(m604,a11,a13,1).
bond(m604,a13,a27,1).
bond(m604,a13,a28,1).
atm(m605,a1,c,c3,0.000,0.000,0.000,-0.197).
atm(m605,a2,s,s3,1.230,1.277,0.319,-0.030).
atm(m605,a3,c,c3,2.656,0.664,-0.642,-0.173).
atm(m605,a4,c,c3,3.814,1.632,-0.494,-0.091).
atm(m605,a5,c,c3,5.024,1.153,-1.282,-0.102).
atm(m605,a6,c,c3,6.189,2.120,-1.136,-0.102).
atm(m605,a7,c,c3,7.399,1.641,-1.923,-0.091).
atm(m605,a8,c,c3,8.557,2.608,-1.775,-0.173).
atm(m605,a9,s,s3,9.983,1.995,-2.736,-0.030).
atm(m605,a10,c,c3,11.214,3.271,-2.416,-0.197).
atm(m605,a11,h,h,0.313,-0.990,0.349,0.063).
atm(m605,a12,h,h,-0.913,0.274,0.542,0.084).
atm(m605,a13,h,h,-0.255,-0.090,-1.062,0.063).
atm(m605,a14,h,h,2.946,-0.345,-0.294,0.071).
atm(m605,a15,h,h,2.379,0.550,-1.707,0.071).
atm(m605,a16,h,h,3.513,2.642,-0.838,0.067).
atm(m605,a17,h,h,4.080,1.747,0.577,0.067).
atm(m605,a18,h,h,5.326,0.143,-0.939,0.053).
atm(m605,a19,h,h,4.760,1.038,-2.352,0.053).
atm(m605,a20,h,h,5.887,3.130,-1.479,0.053).
atm(m605,a21,h,h,6.453,2.236,-0.065,0.053).
atm(m605,a22,h,h,7.700,0.630,-1.578,0.067).
atm(m605,a23,h,h,7.134,1.526,-2.994,0.067).
atm(m605,a24,h,h,8.267,3.617,-2.122,0.071).
atm(m605,a25,h,h,8.834,2.722,-0.710,0.071).
atm(m605,a26,h,h,12.128,2.996,-2.957,0.084).
atm(m605,a27,h,h,10.902,4.261,-2.766,0.063).
atm(m605,a28,h,h,11.467,3.362,-1.354,0.063).
bond(m605,a1,a2,1).
bond(m605,a1,a11,1).
bond(m605,a1,a12,1).
bond(m605,a1,a13,1).
bond(m605,a2,a3,1).
bond(m605,a3,a4,1).
bond(m605,a3,a14,1).
bond(m605,a3,a15,1).
bond(m605,a4,a5,1).
bond(m605,a4,a16,1).
bond(m605,a4,a17,1).
bond(m605,a5,a6,1).
bond(m605,a5,a18,1).
bond(m605,a5,a19,1).
bond(m605,a6,a7,1).
bond(m605,a6,a20,1).
bond(m605,a6,a21,1).
bond(m605,a7,a8,1).
bond(m605,a7,a22,1).
bond(m605,a7,a23,1).
bond(m605,a8,a9,1).
bond(m605,a8,a24,1).
bond(m605,a8,a25,1).
bond(m605,a9,a10,1).
bond(m605,a10,a26,1).
bond(m605,a10,a27,1).
bond(m605,a10,a28,1).
atm(m606,a1,c,c3,2.098,0.000,0.000,-0.148).
atm(m606,a2,c,c3,1.343,1.331,-0.016,0.227).
atm(m606,a3,o,o3,-0.052,1.152,-0.123,-0.305).
atm(m606,a4,c,c1,1.705,2.122,1.154,-0.232).
atm(m606,a5,c,c1,2.006,2.777,2.102,-0.152).
atm(m606,a6,h,h,3.182,0.167,0.000,0.053).
atm(m606,a7,h,h,1.856,-0.600,0.887,0.045).
atm(m606,a8,h,h,1.853,-0.604,-0.883,0.053).
atm(m606,a9,h,h,1.574,1.913,-0.939,0.076).
atm(m606,a10,h,h,-0.339,0.677,0.647,0.188).
atm(m606,a11,h,h,2.274,3.364,2.949,0.195).
bond(m606,a1,a2,1).
bond(m606,a1,a6,1).
bond(m606,a1,a7,1).
bond(m606,a1,a8,1).
bond(m606,a2,a3,1).
bond(m606,a2,a4,1).
bond(m606,a2,a9,1).
bond(m606,a3,a10,1).
bond(m606,a4,a5,3).
bond(m606,a5,a11,1).
atm(m607,a1,c,car,7.447,6.145,0.410,-0.109).
atm(m607,a2,c,c3,6.602,7.291,-0.017,-0.070).
atm(m607,a3,c,car,8.755,6.384,0.862,-0.052).
atm(m607,a4,c,c3,9.311,7.764,0.886,-0.069).
atm(m607,a5,c,car,9.554,5.329,1.301,-0.129).
atm(m607,a6,c,car,9.067,4.029,1.308,-0.071).
atm(m607,a7,c,car,7.781,3.764,0.861,-0.175).
atm(m607,a8,c,car,6.976,4.815,0.393,0.157).
atm(m607,a9,o,o3,5.678,4.557,0.044,-0.574).
atm(m607,a10,p,p3,5.261,3.699,-1.375,2.170).
atm(m607,a11,o,o2,6.303,3.286,-2.278,-0.820).
atm(m607,a12,o,o3,4.220,2.502,-0.741,-0.556).
atm(m607,a13,c,car,4.695,1.339,-0.197,0.143).
atm(m607,a14,c,car,4.593,0.129,-0.919,-0.100).
atm(m607,a15,c,c3,4.057,0.111,-2.306,-0.071).
atm(m607,a16,c,car,5.001,-1.058,-0.292,-0.051).
atm(m607,a17,c,c3,4.962,-2.367,-0.998,-0.075).
atm(m607,a18,c,car,5.469,-1.034,1.024,-0.129).
atm(m607,a19,c,car,5.530,0.157,1.733,-0.079).
atm(m607,a20,c,car,5.143,1.347,1.133,-0.177).
atm(m607,a21,o,o3,4.102,4.691,-2.111,-0.533).
atm(m607,a22,c,car,3.262,5.576,-1.492,0.161).
atm(m607,a23,c,car,3.311,6.934,-1.875,-0.112).
atm(m607,a24,c,c3,4.294,7.442,-2.869,-0.064).
atm(m607,a25,c,car,2.386,7.823,-1.303,-0.055).
atm(m607,a26,c,c3,2.399,9.267,-1.657,-0.068).
atm(m607,a27,c,car,1.434,7.361,-0.393,-0.130).
atm(m607,a28,c,car,1.381,6.016,-0.049,-0.074).
atm(m607,a29,c,car,2.286,5.118,-0.594,-0.169).
atm(m607,a30,h,h,7.020,7.775,-0.913,0.044).
atm(m607,a31,h,h,5.566,7.008,-0.254,0.061).
atm(m607,a32,h,h,6.552,8.053,0.775,0.047).
atm(m607,a33,h,h,10.357,7.785,1.218,0.044).
atm(m607,a34,h,h,9.270,8.223,-0.112,0.048).
atm(m607,a35,h,h,8.736,8.407,1.568,0.048).
atm(m607,a36,h,h,10.575,5.527,1.648,0.107).
atm(m607,a37,h,h,9.698,3.208,1.664,0.101).
atm(m607,a38,h,h,7.397,2.735,0.881,0.117).
atm(m607,a39,h,h,3.731,-0.900,-2.603,0.049).
atm(m607,a40,h,h,3.191,0.776,-2.417,0.054).
atm(m607,a41,h,h,4.823,0.432,-3.025,0.055).
atm(m607,a42,h,h,4.188,-2.386,-1.783,0.053).
atm(m607,a43,h,h,5.926,-2.568,-1.484,0.050).
atm(m607,a44,h,h,4.757,-3.197,-0.309,0.046).
atm(m607,a45,h,h,5.783,-1.969,1.503,0.107).
atm(m607,a46,h,h,5.881,0.159,2.770,0.102).
atm(m607,a47,h,h,5.174,2.283,1.706,0.124).
atm(m607,a48,h,h,3.790,8.027,-3.653,0.046).
atm(m607,a49,h,h,5.029,8.103,-2.383,0.044).
atm(m607,a50,h,h,4.853,6.645,-3.375,0.057).
atm(m607,a51,h,h,3.391,9.708,-1.488,0.046).
atm(m607,a52,h,h,2.149,9.412,-2.718,0.049).
atm(m607,a53,h,h,1.676,9.846,-1.067,0.044).
atm(m607,a54,h,h,0.718,8.063,0.049,0.107).
atm(m607,a55,h,h,0.622,5.663,0.657,0.101).
atm(m607,a56,h,h,2.231,4.057,-0.318,0.127).
bond(m607,a1,a2,1).
bond(m607,a1,a3,ar).
bond(m607,a1,a8,ar).
bond(m607,a2,a30,1).
bond(m607,a2,a31,1).
bond(m607,a2,a32,1).
bond(m607,a3,a4,1).
bond(m607,a3,a5,ar).
bond(m607,a4,a33,1).
bond(m607,a4,a34,1).
bond(m607,a4,a35,1).
bond(m607,a5,a6,ar).
bond(m607,a5,a36,1).
bond(m607,a6,a7,ar).
bond(m607,a6,a37,1).
bond(m607,a7,a8,ar).
bond(m607,a7,a38,1).
bond(m607,a8,a9,1).
bond(m607,a9,a10,1).
bond(m607,a10,a11,2).
bond(m607,a10,a12,1).
bond(m607,a10,a21,1).
bond(m607,a12,a13,1).
bond(m607,a13,a14,ar).
bond(m607,a13,a20,ar).
bond(m607,a14,a15,1).
bond(m607,a14,a16,ar).
bond(m607,a15,a39,1).
bond(m607,a15,a40,1).
bond(m607,a15,a41,1).
bond(m607,a16,a17,1).
bond(m607,a16,a18,ar).
bond(m607,a17,a42,1).
bond(m607,a17,a43,1).
bond(m607,a17,a44,1).
bond(m607,a18,a19,ar).
bond(m607,a18,a45,1).
bond(m607,a19,a20,ar).
bond(m607,a19,a46,1).
bond(m607,a20,a47,1).
bond(m607,a21,a22,1).
bond(m607,a22,a23,ar).
bond(m607,a22,a29,ar).
bond(m607,a23,a24,1).
bond(m607,a23,a25,ar).
bond(m607,a24,a48,1).
bond(m607,a24,a49,1).
bond(m607,a24,a50,1).
bond(m607,a25,a26,1).
bond(m607,a25,a27,ar).
bond(m607,a26,a51,1).
bond(m607,a26,a52,1).
bond(m607,a26,a53,1).
bond(m607,a27,a28,ar).
bond(m607,a27,a54,1).
bond(m607,a28,a29,ar).
bond(m607,a28,a55,1).
bond(m607,a29,a56,1).
atm(m608,a1,c,car,4.451,2.990,0.000,-0.105).
atm(m608,a2,c,car,3.091,3.217,-0.165,-0.462).
atm(m608,a3,c,car,2.593,4.502,0.026,0.063).
atm(m608,a4,c,car,3.462,5.545,0.369,-0.109).
atm(m608,a5,c,car,4.816,5.294,0.524,-0.201).
atm(m608,a6,n,n4,5.301,4.016,0.336,0.439).
atm(m608,a7,c,c3,6.762,3.743,0.521,-0.078).
atm(m608,a8,c,car,7.057,3.379,1.941,-0.159).
atm(m608,a9,c,car,6.937,2.053,2.360,-0.064).
atm(m608,a10,c,car,7.220,1.715,3.679,-0.088).
atm(m608,a11,c,car,7.627,2.696,4.579,-0.069).
atm(m608,a12,c,car,7.753,4.017,4.160,-0.097).
atm(m608,a13,c,car,7.471,4.361,2.843,-0.079).
atm(m608,a14,s,so2,1.933,1.704,-0.672,2.401).
atm(m608,a15,o,o2,2.060,1.752,-2.126,-0.911).
atm(m608,a16,o,o2,2.646,0.610,-0.001,-0.926).
atm(m608,a17,o,o2,0.655,2.121,-0.104,-0.908).
atm(m608,a18,h,h,4.859,1.967,-0.119,0.178).
atm(m608,a19,h,h,1.513,4.683,-0.088,0.148).
atm(m608,a20,h,h,3.083,6.562,0.520,0.130).
atm(m608,a21,h,h,5.527,6.086,0.801,0.147).
atm(m608,a22,h,h,7.065,2.922,-0.164,0.099).
atm(m608,a23,h,h,7.343,4.638,0.211,0.087).
atm(m608,a24,h,h,6.613,1.276,1.654,0.119).
atm(m608,a25,h,h,7.119,0.675,4.008,0.118).
atm(m608,a26,h,h,7.847,2.428,5.618,0.112).
atm(m608,a27,h,h,8.077,4.788,4.867,0.112).
atm(m608,a28,h,h,7.576,5.402,2.515,0.102).
bond(m608,a1,a2,ar).
bond(m608,a1,a6,ar).
bond(m608,a1,a18,1).
bond(m608,a2,a3,ar).
bond(m608,a2,a14,1).
bond(m608,a3,a4,ar).
bond(m608,a3,a19,1).
bond(m608,a4,a5,ar).
bond(m608,a4,a20,1).
bond(m608,a5,a6,ar).
bond(m608,a5,a21,1).
bond(m608,a6,a7,1).
bond(m608,a7,a8,1).
bond(m608,a7,a22,1).
bond(m608,a7,a23,1).
bond(m608,a8,a9,ar).
bond(m608,a8,a13,ar).
bond(m608,a9,a10,ar).
bond(m608,a9,a24,1).
bond(m608,a10,a11,ar).
bond(m608,a10,a25,1).
bond(m608,a11,a12,ar).
bond(m608,a11,a26,1).
bond(m608,a12,a13,ar).
bond(m608,a12,a27,1).
bond(m608,a13,a28,1).
bond(m608,a14,a15,2).
bond(m608,a14,a16,2).
bond(m608,a14,a17,1).
atm(m609,a1,c,car,3.633,0.000,0.000,-0.113).
atm(m609,a2,c,car,2.266,0.242,-0.038,-0.091).
atm(m609,a3,c,car,1.746,1.494,0.296,-0.080).
atm(m609,a4,c,c3,0.249,1.733,0.286,0.006).
atm(m609,a5,c,c3,-0.441,0.866,-0.768,-0.119).
atm(m609,a6,c,c3,-0.075,3.198,-0.013,-0.119).
atm(m609,a7,c,c3,-0.288,1.369,1.672,-0.113).
atm(m609,a8,c,car,2.623,2.507,0.693,-0.089).
atm(m609,a9,c,car,3.993,2.288,0.745,-0.135).
atm(m609,a10,c,car,4.493,1.031,0.393,0.049).
atm(m609,a11,o,o3,5.835,0.689,0.529,-0.131).
atm(m609,a12,c,car,6.761,1.562,-0.022,0.061).
atm(m609,a13,c,car,6.520,2.353,-1.151,-0.130).
atm(m609,a14,c,car,7.553,3.125,-1.668,-0.088).
atm(m609,a15,c,car,8.812,3.110,-1.075,-0.064).
atm(m609,a16,c,car,9.048,2.317,0.049,-0.174).
atm(m609,a17,c,c2,10.381,2.277,0.703,0.326).
atm(m609,a18,o,o2,11.331,2.930,0.332,-0.314).
atm(m609,a19,c,car,8.022,1.539,0.586,-0.089).
atm(m609,a20,h,h,4.029,-0.988,-0.263,0.120).
atm(m609,a21,h,h,1.572,-0.560,-0.338,0.117).
atm(m609,a22,h,h,-0.155,1.165,-1.785,0.046).
atm(m609,a23,h,h,-0.170,-0.196,-0.651,0.046).
atm(m609,a24,h,h,-1.533,0.945,-0.692,0.046).
atm(m609,a25,h,h,0.470,3.874,0.667,0.046).
atm(m609,a26,h,h,0.208,3.471,-1.038,0.046).
atm(m609,a27,h,h,-1.148,3.398,0.102,0.046).
atm(m609,a28,h,h,0.177,1.985,2.453,0.045).
atm(m609,a29,h,h,-1.374,1.520,1.733,0.043).
atm(m609,a30,h,h,-0.085,0.317,1.913,0.045).
atm(m609,a31,h,h,2.210,3.490,0.971,0.117).
atm(m609,a32,h,h,4.671,3.090,1.057,0.119).
atm(m609,a33,h,h,5.528,2.366,-1.618,0.124).
atm(m609,a34,h,h,7.374,3.748,-2.551,0.108).
atm(m609,a35,h,h,9.623,3.721,-1.490,0.123).
atm(m609,a36,h,h,10.479,1.605,1.573,0.047).
atm(m609,a37,h,h,8.203,0.911,1.467,0.122).
bond(m609,a1,a2,ar).
bond(m609,a1,a10,ar).
bond(m609,a1,a20,1).
bond(m609,a2,a3,ar).
bond(m609,a2,a21,1).
bond(m609,a3,a4,1).
bond(m609,a3,a8,ar).
bond(m609,a4,a5,1).
bond(m609,a4,a6,1).
bond(m609,a4,a7,1).
bond(m609,a5,a22,1).
bond(m609,a5,a23,1).
bond(m609,a5,a24,1).
bond(m609,a6,a25,1).
bond(m609,a6,a26,1).
bond(m609,a6,a27,1).
bond(m609,a7,a28,1).
bond(m609,a7,a29,1).
bond(m609,a7,a30,1).
bond(m609,a8,a9,ar).
bond(m609,a8,a31,1).
bond(m609,a9,a10,ar).
bond(m609,a9,a32,1).
bond(m609,a10,a11,1).
bond(m609,a11,a12,1).
bond(m609,a12,a13,ar).
bond(m609,a12,a19,ar).
bond(m609,a13,a14,ar).
bond(m609,a13,a33,1).
bond(m609,a14,a15,ar).
bond(m609,a14,a34,1).
bond(m609,a15,a16,ar).
bond(m609,a15,a35,1).
bond(m609,a16,a17,1).
bond(m609,a16,a19,ar).
bond(m609,a17,a18,2).
bond(m609,a17,a36,1).
bond(m609,a19,a37,1).
atm(m60,a1,c,c3,1.400,0.000,0.000,-0.148).
atm(m60,a2,c,c3,1.393,1.534,0.021,0.104).
atm(m60,a3,c,c3,-0.048,2.052,0.046,-0.116).
atm(m60,a4,o,o3,1.970,2.054,-1.173,-0.307).
atm(m60,a5,c,c3,2.155,2.039,1.253,-0.148).
atm(m60,a6,h,h,2.422,-0.402,-0.009,0.040).
atm(m60,a7,h,h,0.895,-0.404,0.886,0.049).
atm(m60,a8,h,h,0.882,-0.392,-0.885,0.054).
atm(m60,a9,h,h,-0.572,1.696,0.942,0.042).
atm(m60,a10,h,h,-0.614,1.711,-0.831,0.051).
atm(m60,a11,h,h,-0.081,3.150,0.053,0.051).
atm(m60,a12,h,h,2.863,1.737,-1.199,0.185).
atm(m60,a13,h,h,2.188,3.136,1.282,0.054).
atm(m60,a14,h,h,1.674,1.696,2.177,0.049).
atm(m60,a15,h,h,3.192,1.677,1.266,0.040).
bond(m60,a1,a2,1).
bond(m60,a1,a6,1).
bond(m60,a1,a7,1).
bond(m60,a1,a8,1).
bond(m60,a2,a3,1).
bond(m60,a2,a4,1).
bond(m60,a2,a5,1).
bond(m60,a3,a9,1).
bond(m60,a3,a10,1).
bond(m60,a3,a11,1).
bond(m60,a4,a12,1).
bond(m60,a5,a13,1).
bond(m60,a5,a14,1).
bond(m60,a5,a15,1).
atm(m610,a1,c,c3,10.899,1.393,0.000,-0.123).
atm(m610,a2,c,c3,10.214,2.634,-0.547,-0.074).
atm(m610,a3,c,c3,10.636,3.849,0.266,-0.120).
atm(m610,a4,c,c3,8.679,2.490,-0.525,-0.019).
atm(m610,a5,c,c2,8.240,1.219,-1.252,0.384).
atm(m610,a6,o,o2,8.516,0.847,-2.373,-0.366).
atm(m610,a7,o,o3,7.407,0.455,-0.477,-0.264).
atm(m610,a8,c,c3,6.853,-0.760,-1.000,0.289).
atm(m610,a9,c,c1,7.736,-1.887,-0.677,-0.184).
atm(m610,a10,n,n1,8.427,-2.784,-0.435,-0.037).
atm(m610,a11,c,car,5.505,-0.940,-0.337,-0.101).
atm(m610,a12,c,car,4.364,-1.007,-1.138,-0.103).
atm(m610,a13,c,car,3.112,-1.173,-0.556,-0.075).
atm(m610,a14,c,car,2.982,-1.270,0.824,-0.139).
atm(m610,a15,c,car,4.130,-1.203,1.621,0.071).
atm(m610,a16,o,o3,4.110,-1.192,3.007,-0.130).
atm(m610,a17,c,car,3.123,-1.949,3.628,0.057).
atm(m610,a18,c,car,2.826,-3.265,3.258,-0.143).
atm(m610,a19,c,car,1.908,-3.986,4.013,-0.077).
atm(m610,a20,c,car,1.298,-3.405,5.121,-0.118).
atm(m610,a21,c,car,1.604,-2.098,5.483,-0.080).
atm(m610,a22,c,car,2.515,-1.356,4.740,-0.120).
atm(m610,a23,c,car,5.398,-1.040,1.049,-0.090).
atm(m610,a24,c,car,7.992,3.652,-1.192,-0.127).
atm(m610,a25,c,car,6.834,4.194,-0.628,-0.053).
atm(m610,a26,c,car,6.180,5.254,-1.241,-0.126).
atm(m610,a27,c,car,6.698,5.775,-2.434,0.100).
atm(m610,a28,o,o3,5.965,6.825,-2.960,-0.215).
atm(m610,a29,c,c3,6.397,7.405,-4.157,0.312).
atm(m610,a30,f,f,5.311,7.292,-4.943,-0.139).
atm(m610,a31,f,f,6.474,8.709,-3.835,-0.139).
atm(m610,a32,c,car,7.862,5.249,-3.004,-0.182).
atm(m610,a33,c,car,8.502,4.190,-2.375,-0.043).
atm(m610,a34,h,h,11.991,1.513,-0.010,0.050).
atm(m610,a35,h,h,10.601,1.189,1.037,0.046).
atm(m610,a36,h,h,10.665,0.500,-0.594,0.051).
atm(m610,a37,h,h,10.522,2.793,-1.616,0.080).
atm(m610,a38,h,h,11.723,3.995,0.220,0.047).
atm(m610,a39,h,h,10.161,4.766,-0.110,0.048).
atm(m610,a40,h,h,10.361,3.745,1.325,0.045).
atm(m610,a41,h,h,8.353,2.438,0.546,0.097).
atm(m610,a42,h,h,6.741,-0.722,-2.115,0.096).
atm(m610,a43,h,h,4.450,-0.928,-2.228,0.112).
atm(m610,a44,h,h,2.220,-1.226,-1.189,0.108).
atm(m610,a45,h,h,1.995,-1.401,1.283,0.125).
atm(m610,a46,h,h,3.311,-3.721,2.387,0.121).
atm(m610,a47,h,h,1.668,-5.017,3.734,0.105).
atm(m610,a48,h,h,0.577,-3.981,5.711,0.107).
atm(m610,a49,h,h,1.125,-1.647,6.359,0.105).
atm(m610,a50,h,h,2.760,-0.327,5.026,0.121).
atm(m610,a51,h,h,6.293,-0.984,1.682,0.132).
atm(m610,a52,h,h,6.432,3.779,0.305,0.113).
atm(m610,a53,h,h,5.271,5.676,-0.797,0.129).
atm(m610,a54,h,h,7.329,7.016,-4.638,0.098).
atm(m610,a55,h,h,8.268,5.663,-3.938,0.116).
atm(m610,a56,h,h,9.426,3.760,-2.793,0.123).
bond(m610,a1,a2,1).
bond(m610,a1,a34,1).
bond(m610,a1,a35,1).
bond(m610,a1,a36,1).
bond(m610,a2,a3,1).
bond(m610,a2,a4,1).
bond(m610,a2,a37,1).
bond(m610,a3,a38,1).
bond(m610,a3,a39,1).
bond(m610,a3,a40,1).
bond(m610,a4,a5,1).
bond(m610,a4,a24,1).
bond(m610,a4,a41,1).
bond(m610,a5,a6,2).
bond(m610,a5,a7,1).
bond(m610,a7,a8,1).
bond(m610,a8,a9,1).
bond(m610,a8,a11,1).
bond(m610,a8,a42,1).
bond(m610,a9,a10,3).
bond(m610,a11,a12,ar).
bond(m610,a11,a23,ar).
bond(m610,a12,a13,ar).
bond(m610,a12,a43,1).
bond(m610,a13,a14,ar).
bond(m610,a13,a44,1).
bond(m610,a14,a15,ar).
bond(m610,a14,a45,1).
bond(m610,a15,a16,1).
bond(m610,a15,a23,ar).
bond(m610,a16,a17,1).
bond(m610,a17,a18,ar).
bond(m610,a17,a22,ar).
bond(m610,a18,a19,ar).
bond(m610,a18,a46,1).
bond(m610,a19,a20,ar).
bond(m610,a19,a47,1).
bond(m610,a20,a21,ar).
bond(m610,a20,a48,1).
bond(m610,a21,a22,ar).
bond(m610,a21,a49,1).
bond(m610,a22,a50,1).
bond(m610,a23,a51,1).
bond(m610,a24,a25,ar).
bond(m610,a24,a33,ar).
bond(m610,a25,a26,ar).
bond(m610,a25,a52,1).
bond(m610,a26,a27,ar).
bond(m610,a26,a53,1).
bond(m610,a27,a28,1).
bond(m610,a27,a32,ar).
bond(m610,a28,a29,1).
bond(m610,a29,a30,1).
bond(m610,a29,a31,1).
bond(m610,a29,a54,1).
bond(m610,a32,a33,ar).
bond(m610,a32,a55,1).
bond(m610,a33,a56,1).
atm(m611,a1,cl,cl,4.332,9.238,-0.108,0.101).
atm(m611,a2,c,car,4.344,7.616,0.343,-0.165).
atm(m611,a3,c,car,5.392,7.164,1.141,-0.087).
atm(m611,a4,c,car,5.424,5.845,1.575,-0.101).
atm(m611,a5,c,car,4.396,4.975,1.234,-0.088).
atm(m611,a6,c,car,3.340,5.412,0.437,-0.173).
atm(m611,a7,cl,cl,2.093,4.330,0.110,0.099).
atm(m611,a8,c,car,3.319,6.734,-0.051,0.157).
atm(m611,a9,o,o3,2.241,7.188,-0.746,-0.544).
atm(m611,a10,p,p3,2.080,7.207,-2.450,2.163).
atm(m611,a11,o,o2,1.732,5.984,-3.113,-0.789).
atm(m611,a12,o,o3,3.550,7.967,-2.909,-0.550).
atm(m611,a13,c,car,4.060,7.936,-4.169,0.162).
atm(m611,a14,c,car,3.796,8.982,-5.075,-0.176).
atm(m611,a15,cl,cl,2.788,10.268,-4.669,0.099).
atm(m611,a16,c,car,4.391,8.992,-6.335,-0.084).
atm(m611,a17,c,car,5.272,7.982,-6.702,-0.103).
atm(m611,a18,c,car,5.584,6.971,-5.801,-0.083).
atm(m611,a19,c,car,4.997,6.950,-4.538,-0.165).
atm(m611,a20,cl,cl,5.467,5.733,-3.471,0.084).
atm(m611,a21,o,o3,0.958,8.477,-2.662,-0.530).
atm(m611,a22,c,car,0.302,9.180,-1.702,0.174).
atm(m611,a23,c,car,-0.991,8.790,-1.300,-0.172).
atm(m611,a24,cl,cl,-1.726,7.405,-1.915,0.092).
atm(m611,a25,c,car,-1.711,9.565,-0.393,-0.083).
atm(m611,a26,c,car,-1.168,10.740,0.111,-0.104).
atm(m611,a27,c,car,0.090,11.159,-0.306,-0.083).
atm(m611,a28,c,car,0.820,10.395,-1.214,-0.171).
atm(m611,a29,cl,cl,2.317,10.983,-1.717,0.092).
atm(m611,a30,h,h,6.187,7.862,1.427,0.117).
atm(m611,a31,h,h,6.254,5.493,2.196,0.110).
atm(m611,a32,h,h,4.402,3.940,1.594,0.117).
atm(m611,a33,h,h,4.161,9.807,-7.030,0.117).
atm(m611,a34,h,h,5.730,7.990,-7.696,0.110).
atm(m611,a35,h,h,6.299,6.186,-6.074,0.117).
atm(m611,a36,h,h,-2.712,9.240,-0.086,0.117).
atm(m611,a37,h,h,-1.735,11.341,0.829,0.110).
atm(m611,a38,h,h,0.516,12.096,0.071,0.116).
bond(m611,a1,a2,1).
bond(m611,a2,a3,ar).
bond(m611,a2,a8,ar).
bond(m611,a3,a4,ar).
bond(m611,a3,a30,1).
bond(m611,a4,a5,ar).
bond(m611,a4,a31,1).
bond(m611,a5,a6,ar).
bond(m611,a5,a32,1).
bond(m611,a6,a7,1).
bond(m611,a6,a8,ar).
bond(m611,a8,a9,1).
bond(m611,a9,a10,1).
bond(m611,a10,a11,2).
bond(m611,a10,a12,1).
bond(m611,a10,a21,1).
bond(m611,a12,a13,1).
bond(m611,a13,a14,ar).
bond(m611,a13,a19,ar).
bond(m611,a14,a15,1).
bond(m611,a14,a16,ar).
bond(m611,a16,a17,ar).
bond(m611,a16,a33,1).
bond(m611,a17,a18,ar).
bond(m611,a17,a34,1).
bond(m611,a18,a19,ar).
bond(m611,a18,a35,1).
bond(m611,a19,a20,1).
bond(m611,a21,a22,1).
bond(m611,a22,a23,ar).
bond(m611,a22,a28,ar).
bond(m611,a23,a24,1).
bond(m611,a23,a25,ar).
bond(m611,a25,a26,ar).
bond(m611,a25,a36,1).
bond(m611,a26,a27,ar).
bond(m611,a26,a37,1).
bond(m611,a27,a28,ar).
bond(m611,a27,a38,1).
bond(m611,a28,a29,1).
atm(m612,a1,c,car,6.058,2.096,0.000,-0.064).
atm(m612,a2,c,car,7.285,2.746,0.149,-0.190).
atm(m612,a3,c,c2,7.282,4.175,0.563,0.326).
atm(m612,a4,o,o2,8.285,4.835,0.706,-0.309).
atm(m612,a5,c,car,8.476,2.055,-0.077,-0.037).
atm(m612,a6,c,car,8.449,0.714,-0.452,-0.107).
atm(m612,a7,c,car,7.239,0.051,-0.609,-0.080).
atm(m612,a8,c,car,6.049,0.755,-0.386,0.022).
atm(m612,a9,o,o3,4.828,0.072,-0.396,-0.130).
atm(m612,a10,c,car,4.229,-0.072,-1.632,0.096).
atm(m612,a11,c,car,3.046,-0.820,-1.598,-0.135).
atm(m612,a12,c,car,2.361,-1.034,-2.792,-0.103).
atm(m612,a13,cl,cl,0.937,-1.926,-2.789,0.097).
atm(m612,a14,c,car,2.845,-0.517,-3.994,-0.171).
atm(m612,a15,cl,cl,2.003,-0.793,-5.424,0.094).
atm(m612,a16,c,car,4.020,0.231,-4.012,-0.052).
atm(m612,a17,c,car,4.717,0.456,-2.835,-0.166).
atm(m612,a18,h,h,5.118,2.628,0.194,0.122).
atm(m612,a19,h,h,6.290,4.625,0.741,0.049).
atm(m612,a20,h,h,9.437,2.572,0.042,0.124).
atm(m612,a21,h,h,9.389,0.178,-0.623,0.112).
atm(m612,a22,h,h,7.212,-1.006,-0.899,0.121).
atm(m612,a23,h,h,2.659,-1.235,-0.660,0.137).
atm(m612,a24,h,h,4.390,0.640,-4.959,0.118).
atm(m612,a25,h,h,5.642,1.046,-2.850,0.125).
bond(m612,a1,a2,ar).
bond(m612,a1,a8,ar).
bond(m612,a1,a18,1).
bond(m612,a2,a3,1).
bond(m612,a2,a5,ar).
bond(m612,a3,a4,2).
bond(m612,a3,a19,1).
bond(m612,a5,a6,ar).
bond(m612,a5,a20,1).
bond(m612,a6,a7,ar).
bond(m612,a6,a21,1).
bond(m612,a7,a8,ar).
bond(m612,a7,a22,1).
bond(m612,a8,a9,1).
bond(m612,a9,a10,1).
bond(m612,a10,a11,ar).
bond(m612,a10,a17,ar).
bond(m612,a11,a12,ar).
bond(m612,a11,a23,1).
bond(m612,a12,a13,1).
bond(m612,a12,a14,ar).
bond(m612,a14,a15,1).
bond(m612,a14,a16,ar).
bond(m612,a16,a17,ar).
bond(m612,a16,a24,1).
bond(m612,a17,a25,1).
atm(m613,a1,o,o3,3.634,0.000,0.000,-0.171).
atm(m613,a2,c,car,3.575,1.342,0.000,0.293).
atm(m613,a3,c,car,2.308,1.936,0.000,-0.519).
atm(m613,a4,n,n4,1.033,1.145,-0.001,1.329).
atm(m613,a5,o,oco2,-0.024,1.745,-0.001,-0.604).
atm(m613,a6,o,oco2,1.064,-0.067,-0.001,-0.583).
atm(m613,a7,c,car,2.218,3.350,0.000,0.116).
atm(m613,a8,c,car,3.338,4.154,0.000,-0.459).
atm(m613,a9,n,n4,3.147,5.640,0.000,1.318).
atm(m613,a10,o,oco2,2.021,6.093,0.000,-0.586).
atm(m613,a11,o,oco2,4.111,6.386,0.001,-0.608).
atm(m613,a12,c,car,4.647,3.561,0.000,0.100).
atm(m613,a13,c,car,5.835,4.339,0.001,-0.145).
atm(m613,a14,c,car,7.069,3.743,0.001,-0.042).
atm(m613,a15,c,car,7.182,2.337,0.001,-0.093).
atm(m613,a16,c,car,6.053,1.563,0.001,-0.080).
atm(m613,a17,c,car,4.761,2.156,0.000,-0.161).
atm(m613,a18,h,h,4.547,-0.280,0.000,0.220).
atm(m613,a19,h,h,1.209,3.807,0.000,0.163).
atm(m613,a20,h,h,5.727,5.445,0.001,0.181).
atm(m613,a21,h,h,7.977,4.356,0.001,0.114).
atm(m613,a22,h,h,8.175,1.875,0.001,0.115).
atm(m613,a23,h,h,6.145,0.466,0.001,0.100).
bond(m613,a1,a2,1).
bond(m613,a1,a18,1).
bond(m613,a2,a3,ar).
bond(m613,a2,a17,ar).
bond(m613,a3,a4,1).
bond(m613,a3,a7,ar).
bond(m613,a4,a5,2).
bond(m613,a4,a6,1).
bond(m613,a7,a8,ar).
bond(m613,a7,a19,1).
bond(m613,a8,a9,1).
bond(m613,a8,a12,ar).
bond(m613,a9,a10,2).
bond(m613,a9,a11,1).
bond(m613,a12,a13,ar).
bond(m613,a12,a17,ar).
bond(m613,a13,a14,ar).
bond(m613,a13,a20,1).
bond(m613,a14,a15,ar).
bond(m613,a14,a21,1).
bond(m613,a15,a16,ar).
bond(m613,a15,a22,1).
bond(m613,a16,a17,ar).
bond(m613,a16,a23,1).
atm(m61,a1,c,c3,1.211,1.211,0.000,0.329).
atm(m61,a2,f,f,1.769,2.423,0.203,-0.129).
atm(m61,a3,f,f,1.911,0.664,-1.015,-0.130).
atm(m61,a4,f,f,-0.009,1.473,-0.521,-0.140).
atm(m61,a5,c,c3,1.141,0.314,1.287,0.041).
atm(m61,a6,o,o3,2.467,0.135,1.700,-0.288).
atm(m61,a7,h,h,0.537,0.827,2.058,0.057).
atm(m61,a8,h,h,0.654,-0.647,1.037,0.057).
atm(m61,a9,h,h,2.442,-0.415,2.471,0.203).
bond(m61,a1,a2,1).
bond(m61,a1,a3,1).
bond(m61,a1,a4,1).
bond(m61,a1,a5,1).
bond(m61,a5,a6,1).
bond(m61,a5,a7,1).
bond(m61,a5,a8,1).
bond(m61,a6,a9,1).
atm(m62,a1,c,c3,0.189,3.500,0.000,-0.180).
atm(m62,a2,c,c2,1.493,2.742,-0.016,0.281).
atm(m62,a3,o,o2,2.542,3.301,-0.273,-0.310).
atm(m62,a4,c,c3,1.416,1.239,0.303,-0.091).
atm(m62,a5,c,c3,2.800,0.595,0.314,-0.104).
atm(m62,a6,c,c3,0.559,0.558,-0.762,-0.110).
atm(m62,a7,c,c3,0.774,1.064,1.679,-0.115).
atm(m62,a8,h,h,0.330,4.576,0.166,0.069).
atm(m62,a9,h,h,-0.332,3.377,-0.959,0.067).
atm(m62,a10,h,h,-0.473,3.114,0.793,0.066).
atm(m62,a11,h,h,3.459,1.069,1.053,0.052).
atm(m62,a12,h,h,2.733,-0.472,0.564,0.041).
atm(m62,a13,h,h,3.289,0.677,-0.665,0.052).
atm(m62,a14,h,h,0.495,-0.524,-0.582,0.048).
atm(m62,a15,h,h,-0.466,0.951,-0.770,0.043).
atm(m62,a16,h,h,0.981,0.701,-1.765,0.048).
atm(m62,a17,h,h,1.426,1.444,2.477,0.049).
atm(m62,a18,h,h,0.572,0.006,1.891,0.049).
atm(m62,a19,h,h,-0.182,1.610,1.741,0.047).
bond(m62,a1,a2,1).
bond(m62,a1,a8,1).
bond(m62,a1,a9,1).
bond(m62,a1,a10,1).
bond(m62,a2,a3,2).
bond(m62,a2,a4,1).
bond(m62,a4,a5,1).
bond(m62,a4,a6,1).
bond(m62,a4,a7,1).
bond(m62,a5,a11,1).
bond(m62,a5,a12,1).
bond(m62,a5,a13,1).
bond(m62,a6,a14,1).
bond(m62,a6,a15,1).
bond(m62,a6,a16,1).
bond(m62,a7,a17,1).
bond(m62,a7,a18,1).
bond(m62,a7,a19,1).
atm(m63,a1,c,c3,1.400,1.400,0.000,-0.188).
atm(m63,a2,cl,cl,-0.055,1.651,-0.952,0.050).
atm(m63,a3,cl,cl,2.793,1.627,-1.046,0.050).
atm(m63,a4,cl,cl,1.406,-0.250,0.589,0.064).
atm(m63,a5,c,c3,1.446,2.379,1.148,-0.161).
atm(m63,a6,cl,cl,0.053,2.126,2.195,0.033).
atm(m63,a7,cl,cl,2.897,2.096,2.105,0.033).
atm(m63,a8,h,h,1.446,3.428,0.771,0.119).
bond(m63,a1,a2,1).
bond(m63,a1,a3,1).
bond(m63,a1,a4,1).
bond(m63,a1,a5,1).
bond(m63,a5,a6,1).
bond(m63,a5,a7,1).
bond(m63,a5,a8,1).
atm(m64,a1,c,c3,1.390,0.000,0.000,-0.127).
atm(m64,a2,c,c3,1.416,1.519,-0.137,-0.055).
atm(m64,a3,c,c3,-0.003,2.077,-0.153,-0.103).
atm(m64,a4,n,nam,2.208,2.181,0.970,-0.040).
atm(m64,a5,c,c2,3.436,2.697,0.430,0.228).
atm(m64,a6,o,o2,4.380,3.132,1.063,-0.352).
atm(m64,a7,n,nam,3.336,2.683,-1.000,-0.048).
atm(m64,a8,c,c2,2.187,1.936,-1.404,0.244).
atm(m64,a9,o,o2,1.941,1.727,-2.572,-0.318).
atm(m64,a10,h,h,2.398,-0.436,0.019,0.049).
atm(m64,a11,h,h,0.876,-0.309,0.921,0.056).
atm(m64,a12,h,h,0.852,-0.454,-0.843,0.070).
atm(m64,a13,h,h,-0.567,1.671,-1.004,0.061).
atm(m64,a14,h,h,-0.545,1.810,0.764,0.052).
atm(m64,a15,h,h,-0.016,3.172,-0.238,0.059).
atm(m64,a16,h,h,2.263,1.676,1.825,0.098).
atm(m64,a17,h,h,4.074,2.959,-1.607,0.125).
bond(m64,a1,a2,1).
bond(m64,a1,a10,1).
bond(m64,a1,a11,1).
bond(m64,a1,a12,1).
bond(m64,a2,a3,1).
bond(m64,a2,a4,1).
bond(m64,a2,a8,1).
bond(m64,a3,a13,1).
bond(m64,a3,a14,1).
bond(m64,a3,a15,1).
bond(m64,a4,a5,1).
bond(m64,a4,a16,1).
bond(m64,a5,a6,2).
bond(m64,a5,a7,1).
bond(m64,a7,a8,1).
bond(m64,a7,a17,1).
bond(m64,a8,a9,2).
atm(m65,a1,c,c3,4.522,0.000,0.000,-0.109).
atm(m65,a2,c,c3,3.026,-0.115,0.180,-0.129).
atm(m65,a3,c,c3,2.301,1.249,0.295,0.103).
atm(m65,a4,o,o3,2.576,2.067,-0.835,-0.302).
atm(m65,a5,c,c3,2.792,2.033,1.516,-0.128).
atm(m65,a6,c,c3,0.780,0.975,0.424,-0.132).
atm(m65,a7,c,c3,-0.045,2.241,0.493,-0.114).
atm(m65,a8,h,h,4.999,0.487,0.861,0.043).
atm(m65,a9,h,h,4.982,-0.990,-0.112,0.036).
atm(m65,a10,h,h,4.782,0.587,-0.891,0.048).
atm(m65,a11,h,h,2.597,-0.689,-0.667,0.047).
atm(m65,a12,h,h,2.803,-0.712,1.087,0.056).
atm(m65,a13,h,h,2.252,1.596,-1.591,0.185).
atm(m65,a14,h,h,2.108,2.869,1.739,0.056).
atm(m65,a15,h,h,2.832,1.389,2.403,0.044).
atm(m65,a16,h,h,3.794,2.454,1.361,0.058).
atm(m65,a17,h,h,0.436,0.348,-0.423,0.049).
atm(m65,a18,h,h,0.611,0.367,1.335,0.056).
atm(m65,a19,h,h,0.361,2.929,1.253,0.050).
atm(m65,a20,h,h,-0.046,2.780,-0.463,0.045).
atm(m65,a21,h,h,-1.088,2.025,0.754,0.038).
bond(m65,a1,a2,1).
bond(m65,a1,a8,1).
bond(m65,a1,a9,1).
bond(m65,a1,a10,1).
bond(m65,a2,a3,1).
bond(m65,a2,a11,1).
bond(m65,a2,a12,1).
bond(m65,a3,a4,1).
bond(m65,a3,a5,1).
bond(m65,a3,a6,1).
bond(m65,a4,a13,1).
bond(m65,a5,a14,1).
bond(m65,a5,a15,1).
bond(m65,a5,a16,1).
bond(m65,a6,a7,1).
bond(m65,a6,a17,1).
bond(m65,a6,a18,1).
bond(m65,a7,a19,1).
bond(m65,a7,a20,1).
bond(m65,a7,a21,1).
atm(m66,a1,c,c1,4.522,0.000,0.000,-0.155).
atm(m66,a2,c,c1,3.487,0.589,-0.010,-0.225).
atm(m66,a3,c,c3,2.213,1.314,-0.011,0.251).
atm(m66,a4,o,o3,2.447,2.717,0.008,-0.301).
atm(m66,a5,c,c3,1.433,0.988,1.270,-0.126).
atm(m66,a6,c,c3,1.409,0.882,-1.265,-0.131).
atm(m66,a7,c,c3,0.078,1.590,-1.371,-0.115).
atm(m66,a8,h,h,5.448,-0.526,0.010,0.195).
atm(m66,a9,h,h,2.893,2.929,-0.802,0.190).
atm(m66,a10,h,h,1.880,1.459,2.155,0.060).
atm(m66,a11,h,h,0.393,1.344,1.182,0.057).
atm(m66,a12,h,h,1.403,-0.094,1.444,0.049).
atm(m66,a13,h,h,2.010,1.060,-2.179,0.054).
atm(m66,a14,h,h,1.253,-0.214,-1.218,0.062).
atm(m66,a15,h,h,-0.470,1.534,-0.415,0.050).
atm(m66,a16,h,h,-0.552,1.144,-2.150,0.040).
atm(m66,a17,h,h,0.199,2.655,-1.612,0.045).
bond(m66,a1,a2,3).
bond(m66,a1,a8,1).
bond(m66,a2,a3,1).
bond(m66,a3,a4,1).
bond(m66,a3,a5,1).
bond(m66,a3,a6,1).
bond(m66,a4,a9,1).
bond(m66,a5,a10,1).
bond(m66,a5,a11,1).
bond(m66,a5,a12,1).
bond(m66,a6,a7,1).
bond(m66,a6,a13,1).
bond(m66,a6,a14,1).
bond(m66,a7,a15,1).
bond(m66,a7,a16,1).
bond(m66,a7,a17,1).
atm(m67,a1,c,c3,5.182,2.099,0.000,-0.097).
atm(m67,a2,c,c3,5.165,0.581,0.069,-0.102).
atm(m67,a3,c,c3,4.146,0.007,-0.901,-0.097).
atm(m67,a4,c,c3,2.754,0.553,-0.627,-0.135).
atm(m67,a5,c,c3,2.713,2.102,-0.642,0.252).
atm(m67,a6,c,c1,1.404,2.542,-0.159,-0.186).
atm(m67,a7,c,c1,0.339,2.903,0.230,-0.160).
atm(m67,a8,o,o3,2.827,2.615,-1.966,-0.302).
atm(m67,a9,c,c3,3.808,2.680,0.289,-0.135).
atm(m67,a10,h,h,5.542,2.429,-0.996,0.048).
atm(m67,a11,h,h,5.915,2.502,0.726,0.054).
atm(m67,a12,h,h,4.931,0.252,1.101,0.055).
atm(m67,a13,h,h,6.172,0.179,-0.155,0.051).
atm(m67,a14,h,h,4.131,-1.098,-0.824,0.054).
atm(m67,a15,h,h,4.450,0.225,-1.945,0.048).
atm(m67,a16,h,h,2.402,0.199,0.362,0.065).
atm(m67,a17,h,h,2.036,0.153,-1.369,0.069).
atm(m67,a18,h,h,-0.614,3.226,0.578,0.194).
atm(m67,a19,h,h,3.676,2.333,-2.282,0.191).
atm(m67,a20,h,h,3.835,3.783,0.194,0.069).
atm(m67,a21,h,h,3.527,2.470,1.339,0.065).
bond(m67,a1,a2,1).
bond(m67,a1,a9,1).
bond(m67,a1,a10,1).
bond(m67,a1,a11,1).
bond(m67,a2,a3,1).
bond(m67,a2,a12,1).
bond(m67,a2,a13,1).
bond(m67,a3,a4,1).
bond(m67,a3,a14,1).
bond(m67,a3,a15,1).
bond(m67,a4,a5,1).
bond(m67,a4,a16,1).
bond(m67,a4,a17,1).
bond(m67,a5,a6,1).
bond(m67,a5,a8,1).
bond(m67,a5,a9,1).
bond(m67,a6,a7,3).
bond(m67,a7,a18,1).
bond(m67,a8,a19,1).
bond(m67,a9,a20,1).
bond(m67,a9,a21,1).
atm(m68,a1,c,c3,8.379,10.889,0.000,-0.109).
atm(m68,a2,c,c3,9.124,9.574,-0.028,-0.094).
atm(m68,a3,c,c3,8.165,8.395,-0.071,-0.115).
atm(m68,a4,c,c3,8.937,7.079,-0.097,0.067).
atm(m68,a5,o,o3,7.976,6.036,-0.137,-0.275).
atm(m68,a6,c,c3,8.562,4.742,-0.157,0.045).
atm(m68,a7,c,c3,7.391,3.746,-0.240,0.121).
atm(m68,a8,o,o3,7.931,2.453,-0.209,-0.628).
atm(m68,a9,p,p3,6.871,1.156,0.063,2.169).
atm(m68,a10,o,o2,5.736,1.033,-0.827,-0.851).
atm(m68,a11,o,o3,7.926,-0.146,0.026,-0.593).
atm(m68,a12,c,c3,9.060,-0.201,0.856,0.124).
atm(m68,a13,c,c3,9.801,-1.508,0.514,0.045).
atm(m68,a14,o,o3,10.942,-1.544,1.357,-0.272).
atm(m68,a15,c,c3,11.737,-2.705,1.165,0.067).
atm(m68,a16,c,c3,12.914,-2.602,2.131,-0.115).
atm(m68,a17,c,c3,13.823,-3.813,1.992,-0.094).
atm(m68,a18,c,c3,14.997,-3.732,2.941,-0.109).
atm(m68,a19,o,o3,6.544,1.332,1.721,-0.642).
atm(m68,a20,c,c3,5.243,1.547,2.187,0.126).
atm(m68,a21,c,c3,5.006,3.019,2.580,0.019).
atm(m68,a22,o,o3,5.391,3.168,3.936,-0.260).
atm(m68,a23,c,c3,5.287,4.505,4.402,0.062).
atm(m68,a24,c,c3,5.714,4.500,5.867,-0.115).
atm(m68,a25,c,c3,5.633,5.902,6.450,-0.094).
atm(m68,a26,c,c3,6.051,5.919,7.903,-0.108).
atm(m68,a27,h,h,9.073,11.739,0.030,0.038).
atm(m68,a28,h,h,7.745,11.015,-0.887,0.039).
atm(m68,a29,h,h,7.727,10.967,0.880,0.038).
atm(m68,a30,h,h,9.801,9.541,-0.905,0.048).
atm(m68,a31,h,h,9.783,9.493,0.860,0.048).
atm(m68,a32,h,h,7.486,8.426,0.805,0.060).
atm(m68,a33,h,h,7.506,8.473,-0.959,0.062).
atm(m68,a34,h,h,9.600,7.021,-0.983,0.030).
atm(m68,a35,h,h,9.578,6.972,0.801,0.029).
atm(m68,a36,h,h,9.241,4.639,-1.026,0.038).
atm(m68,a37,h,h,9.168,4.583,0.756,0.038).
atm(m68,a38,h,h,6.686,3.890,0.612,0.028).
atm(m68,a39,h,h,6.821,3.878,-1.179,0.036).
atm(m68,a40,h,h,9.706,0.679,0.675,0.039).
atm(m68,a41,h,h,8.748,-0.188,1.918,0.041).
atm(m68,a42,h,h,9.162,-2.395,0.693,0.036).
atm(m68,a43,h,h,10.109,-1.534,-0.550,0.037).
atm(m68,a44,h,h,11.136,-3.615,1.361,0.029).
atm(m68,a45,h,h,12.084,-2.759,0.114,0.029).
atm(m68,a46,h,h,13.488,-1.673,1.942,0.061).
atm(m68,a47,h,h,12.550,-2.518,3.175,0.062).
atm(m68,a48,h,h,13.248,-4.741,2.181,0.048).
atm(m68,a49,h,h,14.185,-3.895,0.948,0.047).
atm(m68,a50,h,h,15.652,-4.607,2.839,0.037).
atm(m68,a51,h,h,15.609,-2.840,2.753,0.039).
atm(m68,a52,h,h,14.670,-3.687,3.988,0.039).
atm(m68,a53,h,h,4.495,1.237,1.431,0.036).
atm(m68,a54,h,h,5.148,0.872,3.058,0.056).
atm(m68,a55,h,h,5.582,3.717,1.929,0.042).
atm(m68,a56,h,h,3.934,3.276,2.472,0.031).
atm(m68,a57,h,h,5.934,5.172,3.798,0.030).
atm(m68,a58,h,h,4.246,4.869,4.289,0.026).
atm(m68,a59,h,h,5.075,3.808,6.452,0.061).
atm(m68,a60,h,h,6.745,4.106,5.966,0.063).
atm(m68,a61,h,h,6.272,6.592,5.864,0.048).
atm(m68,a62,h,h,4.601,6.294,6.348,0.047).
atm(m68,a63,h,h,7.084,5.569,8.031,0.039).
atm(m68,a64,h,h,5.410,5.272,8.516,0.039).
atm(m68,a65,h,h,5.993,6.932,8.322,0.037).
bond(m68,a1,a2,1).
bond(m68,a1,a27,1).
bond(m68,a1,a28,1).
bond(m68,a1,a29,1).
bond(m68,a2,a3,1).
bond(m68,a2,a30,1).
bond(m68,a2,a31,1).
bond(m68,a3,a4,1).
bond(m68,a3,a32,1).
bond(m68,a3,a33,1).
bond(m68,a4,a5,1).
bond(m68,a4,a34,1).
bond(m68,a4,a35,1).
bond(m68,a5,a6,1).
bond(m68,a6,a7,1).
bond(m68,a6,a36,1).
bond(m68,a6,a37,1).
bond(m68,a7,a8,1).
bond(m68,a7,a38,1).
bond(m68,a7,a39,1).
bond(m68,a8,a9,1).
bond(m68,a9,a10,2).
bond(m68,a9,a11,1).
bond(m68,a9,a19,1).
bond(m68,a11,a12,1).
bond(m68,a12,a13,1).
bond(m68,a12,a40,1).
bond(m68,a12,a41,1).
bond(m68,a13,a14,1).
bond(m68,a13,a42,1).
bond(m68,a13,a43,1).
bond(m68,a14,a15,1).
bond(m68,a15,a16,1).
bond(m68,a15,a44,1).
bond(m68,a15,a45,1).
bond(m68,a16,a17,1).
bond(m68,a16,a46,1).
bond(m68,a16,a47,1).
bond(m68,a17,a18,1).
bond(m68,a17,a48,1).
bond(m68,a17,a49,1).
bond(m68,a18,a50,1).
bond(m68,a18,a51,1).
bond(m68,a18,a52,1).
bond(m68,a19,a20,1).
bond(m68,a20,a21,1).
bond(m68,a20,a53,1).
bond(m68,a20,a54,1).
bond(m68,a21,a22,1).
bond(m68,a21,a55,1).
bond(m68,a21,a56,1).
bond(m68,a22,a23,1).
bond(m68,a23,a24,1).
bond(m68,a23,a57,1).
bond(m68,a23,a58,1).
bond(m68,a24,a25,1).
bond(m68,a24,a59,1).
bond(m68,a24,a60,1).
bond(m68,a25,a26,1).
bond(m68,a25,a61,1).
bond(m68,a25,a62,1).
bond(m68,a26,a63,1).
bond(m68,a26,a64,1).
bond(m68,a26,a65,1).
atm(m69,a1,o,o3,0.000,0.698,0.000,-0.317).
atm(m69,a2,c,c3,1.189,-0.047,0.004,0.065).
atm(m69,a3,c,c3,2.428,0.726,0.488,-0.119).
atm(m69,a4,c,c3,2.279,1.159,1.936,-0.109).
atm(m69,a5,c,c3,2.686,1.925,-0.410,-0.113).
atm(m69,a6,h,h,0.218,1.562,-0.342,0.189).
atm(m69,a7,h,h,0.956,-0.896,0.669,0.055).
atm(m69,a8,h,h,1.365,-0.448,-1.013,0.026).
atm(m69,a9,h,h,3.299,0.032,0.417,0.068).
atm(m69,a10,h,h,3.183,1.668,2.295,0.039).
atm(m69,a11,h,h,1.437,1.852,2.067,0.046).
atm(m69,a12,h,h,2.100,0.298,2.592,0.044).
atm(m69,a13,h,h,3.489,2.561,-0.016,0.048).
atm(m69,a14,h,h,2.974,1.614,-1.423,0.042).
atm(m69,a15,h,h,1.783,2.550,-0.504,0.035).
bond(m69,a1,a2,1).
bond(m69,a1,a6,1).
bond(m69,a2,a3,1).
bond(m69,a2,a7,1).
bond(m69,a2,a8,1).
bond(m69,a3,a4,1).
bond(m69,a3,a5,1).
bond(m69,a3,a9,1).
bond(m69,a4,a10,1).
bond(m69,a4,a11,1).
bond(m69,a4,a12,1).
bond(m69,a5,a13,1).
bond(m69,a5,a14,1).
bond(m69,a5,a15,1).
atm(m6,a1,c,c3,11.198,4.849,0.000,-0.109).
atm(m6,a2,c,c3,10.540,3.499,-0.181,-0.093).
atm(m6,a3,c,c3,9.024,3.616,-0.162,-0.119).
atm(m6,a4,c,c3,8.388,2.242,-0.346,0.076).
atm(m6,a5,o,o3,6.974,2.449,-0.315,-0.264).
atm(m6,a6,c,c2,6.159,1.369,-0.482,0.426).
atm(m6,a7,o,o2,6.647,0.263,-0.617,-0.378).
atm(m6,a8,c,car,4.710,1.709,-0.458,-0.135).
atm(m6,a9,c,car,3.816,0.805,0.121,-0.023).
atm(m6,a10,c,car,2.457,1.094,0.143,-0.127).
atm(m6,a11,c,car,1.981,2.278,-0.409,-0.024).
atm(m6,a12,c,car,2.873,3.180,-0.992,-0.137).
atm(m6,a13,c,c2,2.391,4.445,-1.611,0.424).
atm(m6,a14,o,o2,2.811,4.965,-2.625,-0.373).
atm(m6,a15,o,o3,1.385,5.042,-0.902,-0.264).
atm(m6,a16,c,c3,0.802,6.246,-1.381,0.076).
atm(m6,a17,c,c3,-0.267,5.992,-2.440,-0.140).
atm(m6,a18,c,c3,-1.000,7.282,-2.770,-0.091).
atm(m6,a19,c,c3,-2.064,7.058,-3.821,-0.110).
atm(m6,a20,c,car,4.240,2.897,-1.021,0.002).
atm(m6,a21,h,h,12.292,4.762,-0.015,0.039).
atm(m6,a22,h,h,10.913,5.549,-0.797,0.040).
atm(m6,a23,h,h,10.917,5.311,0.956,0.039).
atm(m6,a24,h,h,10.871,3.042,-1.135,0.051).
atm(m6,a25,h,h,10.875,2.805,0.614,0.050).
atm(m6,a26,h,h,8.691,4.074,0.792,0.062).
atm(m6,a27,h,h,8.686,4.311,-0.957,0.062).
atm(m6,a28,h,h,8.681,1.784,-1.310,0.050).
atm(m6,a29,h,h,8.681,1.546,0.463,0.050).
atm(m6,a30,h,h,4.188,-0.134,0.550,0.121).
atm(m6,a31,h,h,1.756,0.384,0.596,0.113).
atm(m6,a32,h,h,0.907,2.500,-0.387,0.117).
atm(m6,a33,h,h,0.368,6.646,-0.447,0.056).
atm(m6,a34,h,h,1.569,6.959,-1.740,0.059).
atm(m6,a35,h,h,0.193,5.572,-3.357,0.070).
atm(m6,a36,h,h,-0.986,5.226,-2.088,0.059).
atm(m6,a37,h,h,-1.457,7.703,-1.852,0.047).
atm(m6,a38,h,h,-0.277,8.046,-3.121,0.052).
atm(m6,a39,h,h,-2.816,6.331,-3.487,0.038).
atm(m6,a40,h,h,-2.591,7.990,-4.058,0.039).
atm(m6,a41,h,h,-1.635,6.676,-4.757,0.041).
atm(m6,a42,h,h,4.936,3.605,-1.490,0.131).
bond(m6,a1,a2,1).
bond(m6,a1,a21,1).
bond(m6,a1,a22,1).
bond(m6,a1,a23,1).
bond(m6,a2,a3,1).
bond(m6,a2,a24,1).
bond(m6,a2,a25,1).
bond(m6,a3,a4,1).
bond(m6,a3,a26,1).
bond(m6,a3,a27,1).
bond(m6,a4,a5,1).
bond(m6,a4,a28,1).
bond(m6,a4,a29,1).
bond(m6,a5,a6,1).
bond(m6,a6,a7,2).
bond(m6,a6,a8,1).
bond(m6,a8,a9,ar).
bond(m6,a8,a20,ar).
bond(m6,a9,a10,ar).
bond(m6,a9,a30,1).
bond(m6,a10,a11,ar).
bond(m6,a10,a31,1).
bond(m6,a11,a12,ar).
bond(m6,a11,a32,1).
bond(m6,a12,a13,1).
bond(m6,a12,a20,ar).
bond(m6,a13,a14,2).
bond(m6,a13,a15,1).
bond(m6,a15,a16,1).
bond(m6,a16,a17,1).
bond(m6,a16,a33,1).
bond(m6,a16,a34,1).
bond(m6,a17,a18,1).
bond(m6,a17,a35,1).
bond(m6,a17,a36,1).
bond(m6,a18,a19,1).
bond(m6,a18,a37,1).
bond(m6,a18,a38,1).
bond(m6,a19,a39,1).
bond(m6,a19,a40,1).
bond(m6,a19,a41,1).
bond(m6,a20,a42,1).
atm(m70,a1,cl,cl,0.000,0.698,0.000,-0.042).
atm(m70,a2,c,c3,1.533,-0.192,-0.041,-0.106).
atm(m70,a3,c,c3,2.678,0.789,0.056,-0.073).
atm(m70,a4,cl,cl,2.679,1.789,-1.427,-0.056).
atm(m70,a5,c,c3,4.014,0.094,0.155,-0.130).
atm(m70,a6,h,h,1.550,-0.907,0.801,0.072).
atm(m70,a7,h,h,1.579,-0.780,-0.976,0.079).
atm(m70,a8,h,h,2.525,1.480,0.918,0.090).
atm(m70,a9,h,h,4.836,0.821,0.175,0.060).
atm(m70,a10,h,h,4.080,-0.511,1.069,0.051).
atm(m70,a11,h,h,4.186,-0.575,-0.699,0.056).
bond(m70,a1,a2,1).
bond(m70,a2,a3,1).
bond(m70,a2,a6,1).
bond(m70,a2,a7,1).
bond(m70,a3,a4,1).
bond(m70,a3,a5,1).
bond(m70,a3,a8,1).
bond(m70,a5,a9,1).
bond(m70,a5,a10,1).
bond(m70,a5,a11,1).
atm(m71,a1,n,n3,0.000,0.698,0.000,-0.033).
atm(m71,a2,c,c3,1.247,-0.085,-0.002,-0.105).
atm(m71,a3,c,c3,2.430,0.558,-0.750,-0.117).
atm(m71,a4,n,n3,2.093,0.729,-2.187,-0.046).
atm(m71,a5,c,c3,3.690,-0.269,-0.525,-0.140).
atm(m71,a6,h,h,0.178,1.615,0.356,0.023).
atm(m71,a7,h,h,-0.359,0.778,-0.928,0.034).
atm(m71,a8,h,h,1.533,-0.249,1.056,0.059).
atm(m71,a9,h,h,1.018,-1.087,-0.419,0.059).
atm(m71,a10,h,h,2.600,1.591,-0.353,0.071).
atm(m71,a11,h,h,2.860,1.162,-2.656,0.030).
atm(m71,a12,h,h,1.919,-0.163,-2.602,0.028).
atm(m71,a13,h,h,4.561,0.164,-1.036,0.041).
atm(m71,a14,h,h,3.938,-0.327,0.544,0.051).
atm(m71,a15,h,h,3.576,-1.301,-0.887,0.044).
bond(m71,a1,a2,1).
bond(m71,a1,a6,1).
bond(m71,a1,a7,1).
bond(m71,a2,a3,1).
bond(m71,a2,a8,1).
bond(m71,a2,a9,1).
bond(m71,a3,a4,1).
bond(m71,a3,a5,1).
bond(m71,a3,a10,1).
bond(m71,a4,a11,1).
bond(m71,a4,a12,1).
bond(m71,a5,a13,1).
bond(m71,a5,a14,1).
bond(m71,a5,a15,1).
atm(m72,a1,c,c3,3.636,0.000,0.000,-0.151).
atm(m72,a2,c,c3,2.309,0.757,-0.003,0.075).
atm(m72,a3,o,o3,2.357,1.885,0.841,-0.307).
atm(m72,a4,c,c3,1.155,-0.196,0.350,-0.133).
atm(m72,a5,c,c3,-0.200,0.436,0.128,-0.107).
atm(m72,a6,h,h,4.481,0.669,-0.210,0.053).
atm(m72,a7,h,h,3.831,-0.480,0.969,0.040).
atm(m72,a8,h,h,3.641,-0.786,-0.765,0.048).
atm(m72,a9,h,h,2.132,1.230,-0.996,0.072).
atm(m72,a10,h,h,2.480,1.570,1.728,0.182).
atm(m72,a11,h,h,1.247,-1.112,-0.266,0.056).
atm(m72,a12,h,h,1.249,-0.535,1.402,0.049).
atm(m72,a13,h,h,-0.340,0.732,-0.920,0.040).
atm(m72,a14,h,h,-1.009,-0.260,0.384,0.036).
atm(m72,a15,h,h,-0.333,1.337,0.742,0.048).
bond(m72,a1,a2,1).
bond(m72,a1,a6,1).
bond(m72,a1,a7,1).
bond(m72,a1,a8,1).
bond(m72,a2,a3,1).
bond(m72,a2,a4,1).
bond(m72,a2,a9,1).
bond(m72,a3,a10,1).
bond(m72,a4,a5,1).
bond(m72,a4,a11,1).
bond(m72,a4,a12,1).
bond(m72,a5,a13,1).
bond(m72,a5,a14,1).
bond(m72,a5,a15,1).
atm(m73,a1,c,c3,0.000,0.698,0.000,-0.110).
atm(m73,a2,c,c3,1.306,-0.068,0.000,-0.145).
atm(m73,a3,c,c2,2.566,0.771,-0.001,0.274).
atm(m73,a4,o,o2,2.576,1.987,-0.001,-0.311).
atm(m73,a5,c,c3,3.846,-0.027,-0.002,-0.173).
atm(m73,a6,h,h,0.141,1.788,0.000,0.066).
atm(m73,a7,h,h,-0.607,0.457,-0.882,0.038).
atm(m73,a8,h,h,-0.607,0.456,0.882,0.038).
atm(m73,a9,h,h,1.357,-0.738,0.881,0.067).
atm(m73,a10,h,h,1.357,-0.739,-0.881,0.067).
atm(m73,a11,h,h,4.742,0.607,-0.002,0.068).
atm(m73,a12,h,h,3.896,-0.673,0.885,0.060).
atm(m73,a13,h,h,3.895,-0.673,-0.888,0.060).
bond(m73,a1,a2,1).
bond(m73,a1,a6,1).
bond(m73,a1,a7,1).
bond(m73,a1,a8,1).
bond(m73,a2,a3,1).
bond(m73,a2,a9,1).
bond(m73,a2,a10,1).
bond(m73,a3,a4,2).
bond(m73,a3,a5,1).
bond(m73,a5,a11,1).
bond(m73,a5,a12,1).
bond(m73,a5,a13,1).
atm(m74,a1,o,o3,2.425,2.098,0.000,-0.310).
atm(m74,a2,c,c3,2.397,0.689,0.012,0.046).
atm(m74,a3,c,c3,3.218,0.089,-1.126,-0.147).
atm(m74,a4,c,c3,2.870,0.115,1.365,-0.146).
atm(m74,a5,n,n3,2.073,0.530,2.531,-0.029).
atm(m74,a6,h,h,3.334,2.364,0.072,0.186).
atm(m74,a7,h,h,1.311,0.489,-0.146,0.072).
atm(m74,a8,h,h,2.922,0.504,-2.098,0.054).
atm(m74,a9,h,h,4.293,0.280,-1.000,0.042).
atm(m74,a10,h,h,3.081,-0.999,-1.174,0.051).
atm(m74,a11,h,h,2.848,-0.992,1.320,0.066).
atm(m74,a12,h,h,3.924,0.398,1.560,0.060).
atm(m74,a13,h,h,2.118,1.522,2.637,0.031).
atm(m74,a14,h,h,1.120,0.263,2.401,0.025).
bond(m74,a1,a2,1).
bond(m74,a1,a6,1).
bond(m74,a2,a3,1).
bond(m74,a2,a4,1).
bond(m74,a2,a7,1).
bond(m74,a3,a8,1).
bond(m74,a3,a9,1).
bond(m74,a3,a10,1).
bond(m74,a4,a5,1).
bond(m74,a4,a11,1).
bond(m74,a4,a12,1).
bond(m74,a5,a13,1).
bond(m74,a5,a14,1).
atm(m75,a1,cl,cl,3.636,0.000,0.000,-0.012).
atm(m75,a2,c,c3,2.103,0.882,0.001,-0.112).
atm(m75,a3,cl,cl,2.492,2.603,0.000,-0.001).
atm(m75,a4,c,c3,1.327,0.529,1.242,-0.127).
atm(m75,a5,cl,cl,-0.278,1.272,1.147,-0.025).
atm(m75,a6,h,h,1.537,0.634,-0.925,0.105).
atm(m75,a7,h,h,1.212,-0.566,1.338,0.084).
atm(m75,a8,h,h,1.837,0.887,2.155,0.089).
bond(m75,a1,a2,1).
bond(m75,a2,a3,1).
bond(m75,a2,a4,1).
bond(m75,a2,a6,1).
bond(m75,a4,a5,1).
bond(m75,a4,a7,1).
bond(m75,a4,a8,1).
atm(m76,a1,cl,cl,3.636,0.000,0.000,0.111).
atm(m76,a2,c,c2,2.182,0.837,0.000,-0.261).
atm(m76,a3,cl,cl,2.311,2.506,0.000,0.123).
atm(m76,a4,c,c2,1.003,0.204,0.000,-0.206).
atm(m76,a5,cl,cl,-0.433,1.058,0.000,0.098).
atm(m76,a6,h,h,0.935,-0.891,0.000,0.136).
bond(m76,a1,a2,1).
bond(m76,a2,a3,1).
bond(m76,a2,a4,2).
bond(m76,a4,a5,1).
bond(m76,a4,a6,1).
atm(m77,a1,c,c3,3.636,0.000,0.000,-0.117).
atm(m77,a2,c,c2,2.334,0.748,0.000,0.376).
atm(m77,a3,o,o2,2.172,1.952,0.000,-0.380).
atm(m77,a4,o,o3,1.253,-0.089,-0.001,-0.275).
atm(m77,a5,c,c3,-0.058,0.434,-0.001,0.066).
atm(m77,a6,h,h,4.489,0.691,0.002,0.070).
atm(m77,a7,h,h,3.719,-0.644,0.886,0.068).
atm(m77,a8,h,h,3.721,-0.641,-0.888,0.068).
atm(m77,a9,h,h,-0.135,1.527,-0.002,0.058).
atm(m77,a10,h,h,-0.538,0.029,-0.897,0.033).
atm(m77,a11,h,h,-0.538,0.031,0.896,0.033).
bond(m77,a1,a2,1).
bond(m77,a1,a6,1).
bond(m77,a1,a7,1).
bond(m77,a1,a8,1).
bond(m77,a2,a3,2).
bond(m77,a2,a4,1).
bond(m77,a4,a5,1).
bond(m77,a5,a9,1).
bond(m77,a5,a10,1).
bond(m77,a5,a11,1).
atm(m78,a1,cl,cl,3.498,2.425,0.000,0.014).
atm(m78,a2,c,c3,1.735,2.419,0.015,-0.143).
atm(m78,a3,cl,cl,1.199,4.099,0.028,0.014).
atm(m78,a4,c,c3,1.225,1.740,-1.232,-0.143).
atm(m78,a5,cl,cl,1.763,0.060,-1.247,0.014).
atm(m78,a6,cl,cl,-0.538,1.731,-1.217,0.014).
atm(m78,a7,h,h,1.373,1.906,0.935,0.115).
atm(m78,a8,h,h,1.586,2.253,-2.152,0.115).
bond(m78,a1,a2,1).
bond(m78,a2,a3,1).
bond(m78,a2,a4,1).
bond(m78,a2,a7,1).
bond(m78,a4,a5,1).
bond(m78,a4,a6,1).
bond(m78,a4,a8,1).
atm(m79,a1,c,c3,1.216,1.398,0.000,0.013).
atm(m79,a2,c,c3,1.891,0.043,-0.237,-0.122).
atm(m79,a3,c,c3,0.595,1.897,-1.304,-0.117).
atm(m79,a4,c,c3,0.096,1.220,1.039,-0.100).
atm(m79,a5,c,c3,0.694,0.931,2.402,-0.106).
atm(m79,a6,c,c3,1.506,2.122,2.875,-0.056).
atm(m79,a7,c,c2,2.396,2.682,1.811,-0.089).
atm(m79,a8,c,c3,3.446,3.600,2.330,-0.084).
atm(m79,a9,c,c2,2.255,2.379,0.507,-0.118).
atm(m79,a10,c,c2,3.144,2.927,-0.526,0.018).
atm(m79,a11,c,c2,3.150,4.218,-0.877,-0.253).
atm(m79,a12,c,c2,4.034,4.762,-1.933,0.314).
atm(m79,a13,c,c3,3.889,6.239,-2.184,-0.164).
atm(m79,a14,o,o2,4.824,4.075,-2.560,-0.326).
atm(m79,a15,h,h,2.176,-0.413,0.726,0.050).
atm(m79,a16,h,h,1.213,-0.654,-0.747,0.044).
atm(m79,a17,h,h,2.795,0.137,-0.852,0.048).
atm(m79,a18,h,h,1.343,1.957,-2.107,0.049).
atm(m79,a19,h,h,-0.203,1.224,-1.645,0.044).
atm(m79,a20,h,h,0.157,2.897,-1.183,0.044).
atm(m79,a21,h,h,-0.577,0.398,0.727,0.055).
atm(m79,a22,h,h,-0.534,2.131,1.080,0.057).
atm(m79,a23,h,h,1.344,0.030,2.325,0.061).
atm(m79,a24,h,h,-0.095,0.686,3.137,0.053).
atm(m79,a25,h,h,2.114,1.840,3.758,0.057).
atm(m79,a26,h,h,0.833,2.936,3.217,0.057).
atm(m79,a27,h,h,4.018,4.093,1.531,0.054).
atm(m79,a28,h,h,2.999,4.388,2.951,0.046).
atm(m79,a29,h,h,4.160,3.048,2.957,0.050).
atm(m79,a30,h,h,3.803,2.197,-1.021,0.118).
atm(m79,a31,h,h,2.483,4.939,-0.387,0.117).
atm(m79,a32,h,h,4.562,6.606,-2.969,0.066).
atm(m79,a33,h,h,2.860,6.475,-2.486,0.061).
atm(m79,a34,h,h,4.103,6.804,-1.267,0.060).
bond(m79,a1,a2,1).
bond(m79,a1,a3,1).
bond(m79,a1,a4,1).
bond(m79,a1,a9,1).
bond(m79,a2,a15,1).
bond(m79,a2,a16,1).
bond(m79,a2,a17,1).
bond(m79,a3,a18,1).
bond(m79,a3,a19,1).
bond(m79,a3,a20,1).
bond(m79,a4,a5,1).
bond(m79,a4,a21,1).
bond(m79,a4,a22,1).
bond(m79,a5,a6,1).
bond(m79,a5,a23,1).
bond(m79,a5,a24,1).
bond(m79,a6,a7,1).
bond(m79,a6,a25,1).
bond(m79,a6,a26,1).
bond(m79,a7,a8,1).
bond(m79,a7,a9,2).
bond(m79,a8,a27,1).
bond(m79,a8,a28,1).
bond(m79,a8,a29,1).
bond(m79,a9,a10,1).
bond(m79,a10,a11,2).
bond(m79,a10,a30,1).
bond(m79,a11,a12,1).
bond(m79,a11,a31,1).
bond(m79,a12,a13,1).
bond(m79,a12,a14,2).
bond(m79,a13,a32,1).
bond(m79,a13,a33,1).
bond(m79,a13,a34,1).
atm(m7,a1,c,c3,4.200,4.200,0.000,0.357).
atm(m7,a2,c,car,4.553,2.747,-0.294,-0.088).
atm(m7,a3,c,car,5.057,1.923,0.714,-0.070).
atm(m7,a4,c,car,5.358,0.592,0.445,-0.108).
atm(m7,a5,c,car,5.151,0.070,-0.827,-0.096).
atm(m7,a6,c,car,4.640,0.884,-1.832,-0.106).
atm(m7,a7,c,car,4.342,2.216,-1.568,-0.090).
atm(m7,a8,c,car,2.785,4.242,0.579,-0.129).
atm(m7,a9,c,car,2.581,4.099,1.952,-0.086).
atm(m7,a10,c,car,1.293,4.117,2.474,-0.105).
atm(m7,a11,c,car,0.198,4.268,1.630,-0.094).
atm(m7,a12,c,car,0.395,4.397,0.260,-0.104).
atm(m7,a13,c,car,1.682,4.383,-0.265,-0.082).
atm(m7,a14,o,o3,5.166,4.693,0.927,-0.301).
atm(m7,a15,c,c1,4.276,5.025,-1.213,-0.217).
atm(m7,a16,c,c1,4.369,5.712,-2.183,-0.149).
atm(m7,a17,h,h,5.216,2.321,1.724,0.115).
atm(m7,a18,h,h,5.759,-0.045,1.240,0.103).
atm(m7,a19,h,h,5.389,-0.977,-1.036,0.102).
atm(m7,a20,h,h,4.472,0.477,-2.834,0.102).
atm(m7,a21,h,h,3.940,2.853,-2.366,0.111).
atm(m7,a22,h,h,3.438,3.958,2.624,0.116).
atm(m7,a23,h,h,1.141,4.007,3.553,0.104).
atm(m7,a24,h,h,-0.816,4.282,2.043,0.103).
atm(m7,a25,h,h,-0.464,4.510,-0.409,0.104).
atm(m7,a26,h,h,1.834,4.482,-1.347,0.113).
atm(m7,a27,h,h,4.894,5.573,1.152,0.197).
atm(m7,a28,h,h,4.454,6.325,-3.049,0.197).
bond(m7,a1,a2,1).
bond(m7,a1,a8,1).
bond(m7,a1,a14,1).
bond(m7,a1,a15,1).
bond(m7,a2,a3,ar).
bond(m7,a2,a7,ar).
bond(m7,a3,a4,ar).
bond(m7,a3,a17,1).
bond(m7,a4,a5,ar).
bond(m7,a4,a18,1).
bond(m7,a5,a6,ar).
bond(m7,a5,a19,1).
bond(m7,a6,a7,ar).
bond(m7,a6,a20,1).
bond(m7,a7,a21,1).
bond(m7,a8,a9,ar).
bond(m7,a8,a13,ar).
bond(m7,a9,a10,ar).
bond(m7,a9,a22,1).
bond(m7,a10,a11,ar).
bond(m7,a10,a23,1).
bond(m7,a11,a12,ar).
bond(m7,a11,a24,1).
bond(m7,a12,a13,ar).
bond(m7,a12,a25,1).
bond(m7,a13,a26,1).
bond(m7,a14,a27,1).
bond(m7,a15,a16,3).
bond(m7,a16,a28,1).
atm(m80,a1,cl,cl,0.000,6.636,0.000,0.103).
atm(m80,a2,c,car,1.394,5.697,-0.060,-0.164).
atm(m80,a3,c,car,2.660,6.288,0.069,0.107).
atm(m80,a4,o,o3,2.697,7.640,0.236,-0.208).
atm(m80,a5,c,car,3.801,5.471,0.023,-0.211).
atm(m80,a6,cl,cl,5.338,6.152,0.185,0.078).
atm(m80,a7,c,car,3.679,4.098,-0.154,-0.059).
atm(m80,a8,c,car,1.282,4.321,-0.236,-0.077).
atm(m80,a9,c,car,2.418,3.513,-0.296,-0.094).
atm(m80,a10,c,c3,2.301,2.005,-0.438,0.067).
atm(m80,a11,c,car,3.342,1.465,-1.403,-0.094).
atm(m80,a12,c,car,3.577,2.129,-2.610,-0.059).
atm(m80,a13,c,car,4.494,1.624,-3.524,-0.211).
atm(m80,a14,cl,cl,4.762,2.452,-4.972,0.078).
atm(m80,a15,c,car,5.190,0.436,-3.252,0.107).
atm(m80,a16,o,o3,6.105,-0.121,-4.095,-0.208).
atm(m80,a17,c,car,4.024,0.276,-1.137,-0.077).
atm(m80,a18,c,car,4.943,-0.237,-2.046,-0.164).
atm(m80,a19,cl,cl,5.748,-1.669,-1.684,0.103).
atm(m80,a20,c,c3,2.465,1.422,0.971,-0.124).
atm(m80,a21,c,c3,0.935,1.583,-0.992,-0.124).
atm(m80,a22,h,h,3.607,7.903,0.313,0.206).
atm(m80,a23,h,h,4.581,3.474,-0.185,0.128).
atm(m80,a24,h,h,0.283,3.864,-0.322,0.130).
atm(m80,a25,h,h,3.039,3.058,-2.839,0.128).
atm(m80,a26,h,h,6.170,0.431,-4.866,0.206).
atm(m80,a27,h,h,3.825,-0.267,-0.199,0.130).
atm(m80,a28,h,h,3.366,1.812,1.463,0.051).
atm(m80,a29,h,h,1.604,1.673,1.602,0.052).
atm(m80,a30,h,h,2.557,0.324,0.942,0.050).
atm(m80,a31,h,h,0.112,2.070,-0.444,0.050).
atm(m80,a32,h,h,0.797,0.498,-0.914,0.052).
atm(m80,a33,h,h,0.830,1.859,-2.050,0.051).
bond(m80,a1,a2,1).
bond(m80,a2,a3,ar).
bond(m80,a2,a8,ar).
bond(m80,a3,a4,1).
bond(m80,a3,a5,ar).
bond(m80,a4,a22,1).
bond(m80,a5,a6,1).
bond(m80,a5,a7,ar).
bond(m80,a7,a9,ar).
bond(m80,a7,a23,1).
bond(m80,a8,a9,ar).
bond(m80,a8,a24,1).
bond(m80,a9,a10,1).
bond(m80,a10,a11,1).
bond(m80,a10,a20,1).
bond(m80,a10,a21,1).
bond(m80,a11,a12,ar).
bond(m80,a11,a17,ar).
bond(m80,a12,a13,ar).
bond(m80,a12,a25,1).
bond(m80,a13,a14,1).
bond(m80,a13,a15,ar).
bond(m80,a15,a16,1).
bond(m80,a15,a18,ar).
bond(m80,a16,a26,1).
bond(m80,a17,a18,ar).
bond(m80,a17,a27,1).
bond(m80,a18,a19,1).
bond(m80,a20,a28,1).
bond(m80,a20,a29,1).
bond(m80,a20,a30,1).
bond(m80,a21,a31,1).
bond(m80,a21,a32,1).
bond(m80,a21,a33,1).
atm(m81,a1,c,c3,6.811,3.500,0.000,-0.119).
atm(m81,a2,c,c3,5.477,2.785,-0.019,-0.103).
atm(m81,a3,c,c3,5.495,1.433,0.721,0.011).
atm(m81,a4,c,c3,6.500,0.516,0.020,-0.127).
atm(m81,a5,c,c3,5.908,1.620,2.183,-0.115).
atm(m81,a6,c,car,4.113,0.807,0.723,-0.110).
atm(m81,a7,c,car,3.974,-0.582,0.767,-0.068).
atm(m81,a8,c,car,2.719,-1.175,0.807,-0.191).
atm(m81,a9,c,car,1.580,-0.360,0.811,0.093).
atm(m81,a10,o,o3,0.305,-0.858,0.847,-0.227).
atm(m81,a11,c,car,1.699,1.036,0.781,-0.139).
atm(m81,a12,c,car,2.964,1.603,0.741,-0.072).
atm(m81,a13,h,h,7.633,2.801,-0.229,0.047).
atm(m81,a14,h,h,6.839,4.309,-0.740,0.040).
atm(m81,a15,h,h,7.026,3.945,0.980,0.040).
atm(m81,a16,h,h,4.687,3.434,0.420,0.056).
atm(m81,a17,h,h,5.164,2.608,-1.067,0.055).
atm(m81,a18,h,h,7.502,0.975,0.019,0.052).
atm(m81,a19,h,h,6.558,-0.466,0.516,0.046).
atm(m81,a20,h,h,6.217,0.338,-1.026,0.046).
atm(m81,a21,h,h,5.250,2.336,2.692,0.045).
atm(m81,a22,h,h,5.857,0.671,2.733,0.044).
atm(m81,a23,h,h,6.937,1.995,2.267,0.044).
atm(m81,a24,h,h,4.880,-1.207,0.770,0.112).
atm(m81,a25,h,h,2.632,-2.267,0.837,0.110).
atm(m81,a26,h,h,0.364,-1.805,0.866,0.196).
atm(m81,a27,h,h,0.806,1.670,0.790,0.121).
atm(m81,a28,h,h,3.075,2.698,0.722,0.113).
bond(m81,a1,a2,1).
bond(m81,a1,a13,1).
bond(m81,a1,a14,1).
bond(m81,a1,a15,1).
bond(m81,a2,a3,1).
bond(m81,a2,a16,1).
bond(m81,a2,a17,1).
bond(m81,a3,a4,1).
bond(m81,a3,a5,1).
bond(m81,a3,a6,1).
bond(m81,a4,a18,1).
bond(m81,a4,a19,1).
bond(m81,a4,a20,1).
bond(m81,a5,a21,1).
bond(m81,a5,a22,1).
bond(m81,a5,a23,1).
bond(m81,a6,a7,ar).
bond(m81,a6,a12,ar).
bond(m81,a7,a8,ar).
bond(m81,a7,a24,1).
bond(m81,a8,a9,ar).
bond(m81,a8,a25,1).
bond(m81,a9,a10,1).
bond(m81,a9,a11,ar).
bond(m81,a10,a26,1).
bond(m81,a11,a12,ar).
bond(m81,a11,a27,1).
bond(m81,a12,a28,1).
atm(m82,a1,c,c3,4.891,0.186,0.000,-0.097).
atm(m82,a2,c,c3,3.420,0.524,-0.166,-0.114).
atm(m82,a3,c,c3,3.069,1.939,0.315,-0.068).
atm(m82,a4,c,c3,4.263,2.882,0.133,-0.101).
atm(m82,a5,c,c3,5.110,2.479,-1.061,-0.126).
atm(m82,a6,c,c3,5.790,1.105,-0.856,-0.046).
atm(m82,a7,n,n3,7.114,1.231,-0.167,-0.046).
atm(m82,a8,c,c3,6.029,0.462,-2.227,-0.114).
atm(m82,a9,c,c3,2.502,1.974,1.765,-0.045).
atm(m82,a10,c,c3,1.262,1.067,1.842,-0.154).
atm(m82,a11,n,n3,3.546,1.565,2.757,-0.056).
atm(m82,a12,c,c3,2.063,3.401,2.119,-0.115).
atm(m82,a13,h,h,5.066,-0.873,-0.275,0.059).
atm(m82,a14,h,h,5.153,0.255,1.081,0.065).
atm(m82,a15,h,h,2.797,-0.229,0.367,0.059).
atm(m82,a16,h,h,3.141,0.425,-1.235,0.054).
atm(m82,a17,h,h,2.241,2.306,-0.343,0.061).
atm(m82,a18,h,h,4.892,2.909,1.047,0.072).
atm(m82,a19,h,h,3.898,3.920,-0.001,0.052).
atm(m82,a20,h,h,5.869,3.261,-1.267,0.051).
atm(m82,a21,h,h,4.472,2.449,-1.968,0.059).
atm(m82,a22,h,h,7.740,1.752,-0.746,0.028).
atm(m82,a23,h,h,6.992,1.711,0.701,0.034).
atm(m82,a24,h,h,6.609,-0.468,-2.148,0.054).
atm(m82,a25,h,h,5.075,0.211,-2.712,0.043).
atm(m82,a26,h,h,6.572,1.135,-2.903,0.038).
atm(m82,a27,h,h,1.499,0.034,1.540,0.049).
atm(m82,a28,h,h,0.840,1.031,2.856,0.047).
atm(m82,a29,h,h,0.469,1.427,1.174,0.051).
atm(m82,a30,h,h,4.060,0.779,2.403,0.041).
atm(m82,a31,h,h,3.110,1.324,3.621,0.031).
atm(m82,a32,h,h,1.357,3.793,1.375,0.040).
atm(m82,a33,h,h,1.562,3.436,3.096,0.041).
atm(m82,a34,h,h,2.915,4.094,2.164,0.055).
bond(m82,a1,a2,1).
bond(m82,a1,a6,1).
bond(m82,a1,a13,1).
bond(m82,a1,a14,1).
bond(m82,a2,a3,1).
bond(m82,a2,a15,1).
bond(m82,a2,a16,1).
bond(m82,a3,a4,1).
bond(m82,a3,a9,1).
bond(m82,a3,a17,1).
bond(m82,a4,a5,1).
bond(m82,a4,a18,1).
bond(m82,a4,a19,1).
bond(m82,a5,a6,1).
bond(m82,a5,a20,1).
bond(m82,a5,a21,1).
bond(m82,a6,a7,1).
bond(m82,a6,a8,1).
bond(m82,a7,a22,1).
bond(m82,a7,a23,1).
bond(m82,a8,a24,1).
bond(m82,a8,a25,1).
bond(m82,a8,a26,1).
bond(m82,a9,a10,1).
bond(m82,a9,a11,1).
bond(m82,a9,a12,1).
bond(m82,a10,a27,1).
bond(m82,a10,a28,1).
bond(m82,a10,a29,1).
bond(m82,a11,a30,1).
bond(m82,a11,a31,1).
bond(m82,a12,a32,1).
bond(m82,a12,a33,1).
bond(m82,a12,a34,1).
atm(m83,a1,cl,cl,0.000,1.210,0.000,-0.010).
atm(m83,a2,c,c3,0.824,2.774,0.130,-0.047).
atm(m83,a3,cl,cl,-0.432,3.999,0.382,-0.010).
atm(m83,a4,c,car,1.766,2.763,1.276,-0.132).
atm(m83,a5,c,car,3.133,3.000,1.094,-0.088).
atm(m83,a6,cl,cl,3.770,3.308,-0.439,0.086).
atm(m83,a7,c,car,4.015,2.990,2.173,-0.113).
atm(m83,a8,c,car,3.538,2.741,3.455,-0.057).
atm(m83,a9,c,car,2.184,2.503,3.658,-0.109).
atm(m83,a10,c,car,1.307,2.514,2.576,-0.091).
atm(m83,a11,cl,cl,-0.323,2.223,2.859,0.110).
atm(m83,a12,h,h,1.339,2.986,-0.836,0.106).
atm(m83,a13,h,h,5.081,3.178,2.003,0.122).
atm(m83,a14,h,h,4.229,2.732,4.304,0.110).
atm(m83,a15,h,h,1.798,2.305,4.665,0.123).
bond(m83,a1,a2,1).
bond(m83,a2,a3,1).
bond(m83,a2,a4,1).
bond(m83,a2,a12,1).
bond(m83,a4,a5,ar).
bond(m83,a4,a10,ar).
bond(m83,a5,a6,1).
bond(m83,a5,a7,ar).
bond(m83,a7,a8,ar).
bond(m83,a7,a13,1).
bond(m83,a8,a9,ar).
bond(m83,a8,a14,1).
bond(m83,a9,a10,ar).
bond(m83,a9,a15,1).
bond(m83,a10,a11,1).
atm(m84,a1,c,car,0.000,2.004,0.000,-0.093).
atm(m84,a2,c,car,0.010,3.427,0.000,-0.094).
atm(m84,a3,c,car,1.172,4.159,0.000,-0.091).
atm(m84,a4,c,car,2.430,3.497,0.000,-0.018).
atm(m84,a5,c,car,3.720,4.095,0.000,-0.091).
atm(m84,a6,c,car,4.844,3.305,0.000,-0.094).
atm(m84,a7,c,car,4.783,1.884,0.001,-0.093).
atm(m84,a8,c,car,3.555,1.285,0.001,-0.067).
atm(m84,a9,c,car,2.395,2.104,0.000,-0.066).
atm(m84,a10,c,car,1.197,1.344,0.000,-0.067).
atm(m84,a11,c,c3,1.562,-0.109,0.000,-0.041).
atm(m84,a12,c,c3,3.117,-0.148,0.001,-0.042).
atm(m84,a13,h,h,-0.953,1.467,0.000,0.106).
atm(m84,a14,h,h,-0.955,3.945,0.000,0.099).
atm(m84,a15,h,h,1.148,5.254,0.000,0.104).
atm(m84,a16,h,h,3.799,5.188,0.000,0.104).
atm(m84,a17,h,h,5.834,3.775,0.000,0.099).
atm(m84,a18,h,h,5.708,1.301,0.001,0.106).
atm(m84,a19,h,h,1.144,-0.622,-0.885,0.060).
atm(m84,a20,h,h,1.143,-0.622,0.885,0.060).
atm(m84,a21,h,h,3.509,-0.681,0.886,0.060).
atm(m84,a22,h,h,3.510,-0.682,-0.883,0.060).
bond(m84,a1,a2,ar).
bond(m84,a1,a10,ar).
bond(m84,a1,a13,1).
bond(m84,a2,a3,ar).
bond(m84,a2,a14,1).
bond(m84,a3,a4,ar).
bond(m84,a3,a15,1).
bond(m84,a4,a5,ar).
bond(m84,a4,a9,ar).
bond(m84,a5,a6,ar).
bond(m84,a5,a16,1).
bond(m84,a6,a7,ar).
bond(m84,a6,a17,1).
bond(m84,a7,a8,ar).
bond(m84,a7,a18,1).
bond(m84,a8,a9,ar).
bond(m84,a8,a12,1).
bond(m84,a9,a10,ar).
bond(m84,a10,a11,1).
bond(m84,a11,a12,1).
bond(m84,a11,a19,1).
bond(m84,a11,a20,1).
bond(m84,a12,a21,1).
bond(m84,a12,a22,1).
atm(m85,a1,c,car,5.209,1.214,0.000,-0.081).
atm(m85,a2,c,car,4.530,0.000,0.004,-0.130).
atm(m85,a3,c,car,3.134,-0.041,0.000,-0.060).
atm(m85,a4,c,car,2.438,1.155,-0.009,-0.130).
atm(m85,a5,c,c3,0.956,1.389,-0.008,-0.024).
atm(m85,a6,c,c3,0.262,0.732,-1.184,-0.108).
atm(m85,a7,c,car,4.518,2.426,-0.005,-0.116).
atm(m85,a8,c,car,3.130,2.380,-0.005,-0.074).
atm(m85,a9,n,npl3,2.221,3.492,0.077,0.032).
atm(m85,a10,c,c3,0.833,2.933,-0.036,-0.100).
atm(m85,a11,h,h,6.304,1.221,0.003,0.100).
atm(m85,a12,h,h,5.095,-0.938,0.010,0.103).
atm(m85,a13,h,h,2.599,-0.996,-0.001,0.105).
atm(m85,a14,h,h,0.522,0.988,0.939,0.076).
atm(m85,a15,h,h,0.403,-0.357,-1.165,0.044).
atm(m85,a16,h,h,-0.817,0.930,-1.168,0.041).
atm(m85,a17,h,h,0.650,1.095,-2.145,0.043).
atm(m85,a18,h,h,5.057,3.379,-0.007,0.112).
atm(m85,a19,h,h,2.422,4.202,-0.590,0.055).
atm(m85,a20,h,h,0.256,3.314,0.827,0.062).
atm(m85,a21,h,h,0.312,3.288,-0.947,0.049).
bond(m85,a1,a2,ar).
bond(m85,a1,a7,ar).
bond(m85,a1,a11,1).
bond(m85,a2,a3,ar).
bond(m85,a2,a12,1).
bond(m85,a3,a4,ar).
bond(m85,a3,a13,1).
bond(m85,a4,a5,1).
bond(m85,a4,a8,ar).
bond(m85,a5,a6,1).
bond(m85,a5,a10,1).
bond(m85,a5,a14,1).
bond(m85,a6,a15,1).
bond(m85,a6,a16,1).
bond(m85,a6,a17,1).
bond(m85,a7,a8,ar).
bond(m85,a7,a18,1).
bond(m85,a8,a9,1).
bond(m85,a9,a10,1).
bond(m85,a9,a19,1).
bond(m85,a10,a20,1).
bond(m85,a10,a21,1).
atm(m86,a1,c,c2,13.957,5.006,0.000,-0.146).
atm(m86,a2,c,c2,13.862,4.149,1.017,-0.137).
atm(m86,a3,c,c3,14.962,3.977,2.001,-0.071).
atm(m86,a4,c,c3,12.609,3.333,1.198,0.105).
atm(m86,a5,o,o3,12.942,1.927,1.383,-0.174).
atm(m86,a6,c,car,12.402,1.525,2.582,0.148).
atm(m86,a7,c,car,12.521,0.239,3.100,-0.182).
atm(m86,a8,c,car,11.904,-0.014,4.322,0.030).
atm(m86,a9,c,car,11.193,0.974,5.011,-0.278).
atm(m86,a10,c,c2,10.519,0.658,6.293,0.342).
atm(m86,a11,o,o2,10.635,-0.423,6.838,-0.308).
atm(m86,a12,c,c3,9.620,1.763,6.852,-0.085).
atm(m86,a13,c,car,9.494,1.715,8.344,-0.169).
atm(m86,a14,c,car,8.633,0.794,8.942,-0.033).
atm(m86,a15,c,car,8.510,0.735,10.330,-0.011).
atm(m86,a16,o,o3,7.565,-0.118,10.891,-0.192).
atm(m86,a17,c,c3,8.041,-1.434,11.077,0.053).
atm(m86,a18,c,car,9.258,1.616,11.145,0.114).
atm(m86,a19,o,o3,9.054,1.515,12.505,-0.171).
atm(m86,a20,c,c3,9.999,2.155,13.332,0.041).
atm(m86,a21,c,car,10.111,2.552,10.557,-0.221).
atm(m86,a22,c,car,10.221,2.592,9.163,0.126).
atm(m86,a23,o,o3,11.051,3.588,8.683,-0.179).
atm(m86,a24,c,c3,11.355,3.521,7.303,0.022).
atm(m86,a25,c,c3,10.127,3.156,6.446,0.046).
atm(m86,a26,o,o3,10.402,3.301,5.060,-0.171).
atm(m86,a27,c,car,11.101,2.276,4.469,0.180).
atm(m86,a28,c,car,11.704,2.551,3.247,-0.226).
atm(m86,a29,c,c3,11.776,3.794,2.427,-0.042).
atm(m86,a30,h,h,14.830,5.633,-0.160,0.087).
atm(m86,a31,h,h,13.172,5.139,-0.740,0.084).
atm(m86,a32,h,h,15.783,4.687,1.834,0.046).
atm(m86,a33,h,h,14.599,4.123,3.028,0.048).
atm(m86,a34,h,h,15.383,2.964,1.939,0.059).
atm(m86,a35,h,h,12.001,3.336,0.265,0.073).
atm(m86,a36,h,h,13.073,-0.542,2.568,0.130).
atm(m86,a37,h,h,11.975,-1.020,4.757,0.120).
atm(m86,a38,h,h,8.610,1.596,6.399,0.101).
atm(m86,a39,h,h,8.056,0.101,8.315,0.120).
atm(m86,a40,h,h,8.334,-1.900,10.129,0.025).
atm(m86,a41,h,h,7.172,-1.946,11.498,0.044).
atm(m86,a42,h,h,8.880,-1.473,11.779,0.026).
atm(m86,a43,h,h,10.271,3.162,12.982,0.035).
atm(m86,a44,h,h,9.483,2.208,14.293,0.053).
atm(m86,a45,h,h,10.906,1.548,13.419,0.028).
atm(m86,a46,h,h,10.675,3.255,11.189,0.138).
atm(m86,a47,h,h,12.185,2.805,7.146,0.056).
atm(m86,a48,h,h,11.730,4.538,7.099,0.073).
atm(m86,a49,h,h,9.324,3.920,6.565,0.094).
atm(m86,a50,h,h,10.774,4.153,2.132,0.071).
atm(m86,a51,h,h,12.257,4.623,2.978,0.076).
bond(m86,a1,a2,2).
bond(m86,a1,a30,1).
bond(m86,a1,a31,1).
bond(m86,a2,a3,1).
bond(m86,a2,a4,1).
bond(m86,a3,a32,1).
bond(m86,a3,a33,1).
bond(m86,a3,a34,1).
bond(m86,a4,a5,1).
bond(m86,a4,a29,1).
bond(m86,a4,a35,1).
bond(m86,a5,a6,1).
bond(m86,a6,a7,ar).
bond(m86,a6,a28,ar).
bond(m86,a7,a8,ar).
bond(m86,a7,a36,1).
bond(m86,a8,a9,ar).
bond(m86,a8,a37,1).
bond(m86,a9,a10,1).
bond(m86,a9,a27,ar).
bond(m86,a10,a11,2).
bond(m86,a10,a12,1).
bond(m86,a12,a13,1).
bond(m86,a12,a25,1).
bond(m86,a12,a38,1).
bond(m86,a13,a14,ar).
bond(m86,a13,a22,ar).
bond(m86,a14,a15,ar).
bond(m86,a14,a39,1).
bond(m86,a15,a16,1).
bond(m86,a15,a18,ar).
bond(m86,a16,a17,1).
bond(m86,a17,a40,1).
bond(m86,a17,a41,1).
bond(m86,a17,a42,1).
bond(m86,a18,a19,1).
bond(m86,a18,a21,ar).
bond(m86,a19,a20,1).
bond(m86,a20,a43,1).
bond(m86,a20,a44,1).
bond(m86,a20,a45,1).
bond(m86,a21,a22,ar).
bond(m86,a21,a46,1).
bond(m86,a22,a23,1).
bond(m86,a23,a24,1).
bond(m86,a24,a25,1).
bond(m86,a24,a47,1).
bond(m86,a24,a48,1).
bond(m86,a25,a26,1).
bond(m86,a25,a49,1).
bond(m86,a26,a27,1).
bond(m86,a27,a28,ar).
bond(m86,a28,a29,1).
bond(m86,a29,a50,1).
bond(m86,a29,a51,1).
atm(m87,a1,o,o2,9.396,3.884,0.083,-0.328).
atm(m87,a2,c,c2,8.436,3.141,0.034,0.285).
atm(m87,a3,n,nam,8.631,1.727,0.170,-0.056).
atm(m87,a4,c,c2,7.555,0.800,0.088,0.300).
atm(m87,a5,o,o2,7.826,-0.379,0.221,-0.315).
atm(m87,a6,c,c2,6.198,1.375,-0.154,-0.174).
atm(m87,a7,n,n2,5.163,0.589,-0.293,0.130).
atm(m87,a8,c,car,3.888,1.134,-0.517,-0.141).
atm(m87,a9,c,car,2.806,0.250,-0.690,-0.011).
atm(m87,a10,c,car,1.531,0.743,-0.907,-0.096).
atm(m87,a11,c,c3,0.398,-0.201,-1.091,-0.069).
atm(m87,a12,c,car,1.319,2.141,-0.949,0.004).
atm(m87,a13,c,c3,-0.043,2.690,-1.174,-0.083).
atm(m87,a14,c,car,2.382,3.015,-0.776,-0.150).
atm(m87,a15,c,car,3.685,2.531,-0.561,-0.065).
atm(m87,a16,n,npl3,4.803,3.404,-0.400,0.234).
atm(m87,a17,c,c3,4.600,4.874,-0.278,-0.154).
atm(m87,a18,c,c3,5.230,5.677,-1.445,0.064).
atm(m87,a19,o,o3,6.513,6.154,-1.119,-0.357).
atm(m87,a20,c,c3,4.340,6.900,-1.802,0.035).
atm(m87,a21,o,o3,4.839,7.638,-2.896,-0.311).
atm(m87,a22,c,c3,4.096,7.883,-0.613,0.006).
atm(m87,a23,o,o3,4.313,9.220,-0.996,-0.327).
atm(m87,a24,c,c3,2.638,7.739,-0.092,0.034).
atm(m87,a25,o,o3,2.581,7.269,1.228,-0.322).
atm(m87,a26,c,c2,6.079,2.837,-0.226,0.017).
atm(m87,a27,n,n2,7.114,3.662,-0.158,-0.272).
atm(m87,a28,h,h,9.558,1.383,0.322,0.123).
atm(m87,a29,h,h,2.984,-0.834,-0.653,0.131).
atm(m87,a30,h,h,0.720,-1.250,-1.046,0.053).
atm(m87,a31,h,h,-0.365,-0.054,-0.313,0.054).
atm(m87,a32,h,h,-0.088,-0.045,-2.065,0.053).
atm(m87,a33,h,h,-0.062,3.788,-1.158,0.053).
atm(m87,a34,h,h,-0.437,2.365,-2.148,0.059).
atm(m87,a35,h,h,-0.740,2.335,-0.402,0.060).
atm(m87,a36,h,h,2.195,4.102,-0.804,0.132).
atm(m87,a37,h,h,3.506,5.083,-0.224,0.101).
atm(m87,a38,h,h,5.015,5.215,0.697,0.103).
atm(m87,a39,h,h,5.310,5.039,-2.362,0.055).
atm(m87,a40,h,h,7.001,5.402,-0.760,0.255).
atm(m87,a41,h,h,3.358,6.533,-2.190,0.070).
atm(m87,a42,h,h,5.786,7.686,-2.816,0.219).
atm(m87,a43,h,h,4.834,7.708,0.206,0.089).
atm(m87,a44,h,h,4.402,9.215,-1.951,0.216).
atm(m87,a45,h,h,2.075,8.687,-0.192,0.053).
atm(m87,a46,h,h,2.084,6.962,-0.654,0.045).
atm(m87,a47,h,h,2.957,7.941,1.783,0.196).
bond(m87,a1,a2,2).
bond(m87,a2,a3,1).
bond(m87,a2,a27,1).
bond(m87,a3,a4,1).
bond(m87,a3,a28,1).
bond(m87,a4,a5,2).
bond(m87,a4,a6,1).
bond(m87,a6,a7,2).
bond(m87,a6,a26,1).
bond(m87,a7,a8,1).
bond(m87,a8,a9,ar).
bond(m87,a8,a15,ar).
bond(m87,a9,a10,ar).
bond(m87,a9,a29,1).
bond(m87,a10,a11,1).
bond(m87,a10,a12,ar).
bond(m87,a11,a30,1).
bond(m87,a11,a31,1).
bond(m87,a11,a32,1).
bond(m87,a12,a13,1).
bond(m87,a12,a14,ar).
bond(m87,a13,a33,1).
bond(m87,a13,a34,1).
bond(m87,a13,a35,1).
bond(m87,a14,a15,ar).
bond(m87,a14,a36,1).
bond(m87,a15,a16,1).
bond(m87,a16,a17,1).
bond(m87,a16,a26,1).
bond(m87,a17,a18,1).
bond(m87,a17,a37,1).
bond(m87,a17,a38,1).
bond(m87,a18,a19,1).
bond(m87,a18,a20,1).
bond(m87,a18,a39,1).
bond(m87,a19,a40,1).
bond(m87,a20,a21,1).
bond(m87,a20,a22,1).
bond(m87,a20,a41,1).
bond(m87,a21,a42,1).
bond(m87,a22,a23,1).
bond(m87,a22,a24,1).
bond(m87,a22,a43,1).
bond(m87,a23,a44,1).
bond(m87,a24,a25,1).
bond(m87,a24,a45,1).
bond(m87,a24,a46,1).
bond(m87,a25,a47,1).
bond(m87,a26,a27,2).
atm(m88,a1,c,car,9.094,3.640,0.000,-0.120).
atm(m88,a2,c,car,10.419,3.250,0.155,-0.084).
atm(m88,a3,c,car,10.752,1.899,0.201,-0.106).
atm(m88,a4,c,car,9.761,0.927,0.097,-0.084).
atm(m88,a5,c,car,8.428,1.294,-0.056,-0.105).
atm(m88,a6,c,car,8.108,2.653,-0.106,0.067).
atm(m88,a7,o,o3,6.784,3.092,-0.130,-0.216).
atm(m88,a8,c,c2,6.035,2.909,-1.268,0.414).
atm(m88,a9,o,o2,6.470,2.282,-2.206,-0.324).
atm(m88,a10,c,car,4.685,3.534,-1.130,-0.064).
atm(m88,a11,c,car,3.664,2.766,-0.570,-0.066).
atm(m88,a12,c,car,2.382,3.292,-0.448,-0.083).
atm(m88,a13,c,car,2.115,4.585,-0.886,-0.084).
atm(m88,a14,c,car,3.129,5.355,-1.442,-0.071).
atm(m88,a15,c,car,4.420,4.836,-1.564,-0.085).
atm(m88,a16,c,c2,5.456,5.681,-2.223,0.398).
atm(m88,a17,o,o2,5.814,5.635,-3.378,-0.305).
atm(m88,a18,o,o3,6.155,6.681,-1.598,-0.183).
atm(m88,a19,c,car,5.893,6.977,-0.263,0.041).
atm(m88,a20,c,car,6.769,6.494,0.714,-0.115).
atm(m88,a21,c,car,6.594,6.900,2.032,-0.084).
atm(m88,a22,c,car,5.565,7.775,2.368,-0.105).
atm(m88,a23,c,car,4.704,8.255,1.387,-0.087).
atm(m88,a24,c,car,4.860,7.862,0.062,-0.120).
atm(m88,a25,h,h,8.819,4.706,-0.030,0.122).
atm(m88,a26,h,h,11.203,4.010,0.237,0.106).
atm(m88,a27,h,h,11.799,1.600,0.318,0.106).
atm(m88,a28,h,h,10.031,-0.134,0.132,0.105).
atm(m88,a29,h,h,7.649,0.530,-0.147,0.117).
atm(m88,a30,h,h,3.871,1.746,-0.227,0.116).
atm(m88,a31,h,h,1.583,2.684,-0.009,0.111).
atm(m88,a32,h,h,1.105,4.998,-0.794,0.111).
atm(m88,a33,h,h,2.917,6.375,-1.787,0.116).
atm(m88,a34,h,h,7.585,5.805,0.443,0.128).
atm(m88,a35,h,h,7.272,6.528,2.808,0.107).
atm(m88,a36,h,h,5.435,8.089,3.409,0.106).
atm(m88,a37,h,h,3.900,8.948,1.656,0.105).
atm(m88,a38,h,h,4.189,8.245,-0.715,0.115).
bond(m88,a1,a2,ar).
bond(m88,a1,a6,ar).
bond(m88,a1,a25,1).
bond(m88,a2,a3,ar).
bond(m88,a2,a26,1).
bond(m88,a3,a4,ar).
bond(m88,a3,a27,1).
bond(m88,a4,a5,ar).
bond(m88,a4,a28,1).
bond(m88,a5,a6,ar).
bond(m88,a5,a29,1).
bond(m88,a6,a7,1).
bond(m88,a7,a8,1).
bond(m88,a8,a9,2).
bond(m88,a8,a10,1).
bond(m88,a10,a11,ar).
bond(m88,a10,a15,ar).
bond(m88,a11,a12,ar).
bond(m88,a11,a30,1).
bond(m88,a12,a13,ar).
bond(m88,a12,a31,1).
bond(m88,a13,a14,ar).
bond(m88,a13,a32,1).
bond(m88,a14,a15,ar).
bond(m88,a14,a33,1).
bond(m88,a15,a16,1).
bond(m88,a16,a17,2).
bond(m88,a16,a18,1).
bond(m88,a18,a19,1).
bond(m88,a19,a20,ar).
bond(m88,a19,a24,ar).
bond(m88,a20,a21,ar).
bond(m88,a20,a34,1).
bond(m88,a21,a22,ar).
bond(m88,a21,a35,1).
bond(m88,a22,a23,ar).
bond(m88,a22,a36,1).
bond(m88,a23,a24,ar).
bond(m88,a23,a37,1).
bond(m88,a24,a38,1).
atm(m89,a1,c,car,2.422,0.700,0.000,-0.028).
atm(m89,a2,c,car,3.640,0.000,0.000,-0.087).
atm(m89,a3,c,car,4.851,0.700,0.000,-0.087).
atm(m89,a4,c,car,4.851,2.100,0.000,-0.029).
atm(m89,a5,c,car,3.640,2.800,0.000,-0.102).
atm(m89,a6,c,c2,3.640,4.200,0.000,0.317).
atm(m89,a7,o,o2,4.851,4.900,0.000,-0.375).
atm(m89,a8,c,car,2.422,4.900,0.000,-0.100).
atm(m89,a9,c,car,1.211,4.200,0.000,-0.101).
atm(m89,a10,c,c2,1.211,2.800,0.000,0.317).
atm(m89,a11,o,o2,0.000,2.100,0.000,-0.376).
atm(m89,a12,c,car,2.422,2.100,0.000,-0.102).
atm(m89,a13,c,car,0.000,4.900,0.000,-0.030).
atm(m89,a14,c,car,0.000,6.300,0.000,-0.087).
atm(m89,a15,c,car,1.211,7.000,0.000,-0.086).
atm(m89,a16,c,car,2.422,6.300,0.000,-0.031).
atm(m89,a17,h,h,1.479,0.154,0.000,0.136).
atm(m89,a18,h,h,3.641,-1.090,0.000,0.111).
atm(m89,a19,h,h,5.795,0.155,0.000,0.111).
atm(m89,a20,h,h,5.795,2.645,0.000,0.136).
atm(m89,a21,h,h,-0.944,4.355,0.000,0.136).
atm(m89,a22,h,h,-0.944,6.845,0.000,0.111).
atm(m89,a23,h,h,1.211,8.090,0.000,0.111).
atm(m89,a24,h,h,3.366,6.845,0.000,0.136).
bond(m89,a1,a2,ar).
bond(m89,a1,a12,ar).
bond(m89,a1,a17,1).
bond(m89,a2,a3,ar).
bond(m89,a2,a18,1).
bond(m89,a3,a4,ar).
bond(m89,a3,a19,1).
bond(m89,a4,a5,ar).
bond(m89,a4,a20,1).
bond(m89,a5,a6,1).
bond(m89,a5,a12,ar).
bond(m89,a6,a7,2).
bond(m89,a6,a8,1).
bond(m89,a8,a9,ar).
bond(m89,a8,a16,ar).
bond(m89,a9,a10,1).
bond(m89,a9,a13,ar).
bond(m89,a10,a11,2).
bond(m89,a10,a12,1).
bond(m89,a13,a14,ar).
bond(m89,a13,a21,1).
bond(m89,a14,a15,ar).
bond(m89,a14,a22,1).
bond(m89,a15,a16,ar).
bond(m89,a15,a23,1).
bond(m89,a16,a24,1).
atm(m8,a1,c,c3,0.000,0.000,0.000,-0.111).
atm(m8,a2,c,c3,1.153,0.936,0.293,-0.087).
atm(m8,a3,c,c3,2.415,0.477,-0.411,-0.165).
atm(m8,a4,s,s3,3.773,1.639,-0.036,-0.050).
atm(m8,a5,c,c3,5.161,0.850,-0.927,-0.158).
atm(m8,a6,c,c3,6.416,1.651,-0.679,-0.158).
atm(m8,a7,s,s3,7.803,0.861,-1.570,-0.050).
atm(m8,a8,c,c3,9.190,1.946,-1.083,-0.165).
atm(m8,a9,c,c3,10.471,1.437,-1.714,-0.087).
atm(m8,a10,c,c3,11.645,2.313,-1.335,-0.111).
atm(m8,a11,h,h,0.213,-1.024,0.335,0.040).
atm(m8,a12,h,h,-0.914,0.329,0.511,0.043).
atm(m8,a13,h,h,-0.223,-0.047,-1.074,0.040).
atm(m8,a14,h,h,0.894,1.966,-0.024,0.065).
atm(m8,a15,h,h,1.327,0.992,1.386,0.065).
atm(m8,a16,h,h,2.689,-0.546,-0.092,0.072).
atm(m8,a17,h,h,2.252,0.421,-1.503,0.073).
atm(m8,a18,h,h,5.288,-0.196,-0.588,0.086).
atm(m8,a19,h,h,4.937,0.795,-2.010,0.087).
atm(m8,a20,h,h,6.289,2.696,-1.020,0.087).
atm(m8,a21,h,h,6.640,1.707,0.404,0.086).
atm(m8,a22,h,h,8.988,2.986,-1.398,0.073).
atm(m8,a23,h,h,9.283,1.974,0.019,0.072).
atm(m8,a24,h,h,10.661,0.391,-1.399,0.065).
atm(m8,a25,h,h,10.364,1.403,-2.817,0.065).
atm(m8,a26,h,h,12.574,1.946,-1.791,0.043).
atm(m8,a27,h,h,11.504,3.350,-1.669,0.040).
atm(m8,a28,h,h,11.800,2.338,-0.248,0.040).
bond(m8,a1,a2,1).
bond(m8,a1,a11,1).
bond(m8,a1,a12,1).
bond(m8,a1,a13,1).
bond(m8,a2,a3,1).
bond(m8,a2,a14,1).
bond(m8,a2,a15,1).
bond(m8,a3,a4,1).
bond(m8,a3,a16,1).
bond(m8,a3,a17,1).
bond(m8,a4,a5,1).
bond(m8,a5,a6,1).
bond(m8,a5,a18,1).
bond(m8,a5,a19,1).
bond(m8,a6,a7,1).
bond(m8,a6,a20,1).
bond(m8,a6,a21,1).
bond(m8,a7,a8,1).
bond(m8,a8,a9,1).
bond(m8,a8,a22,1).
bond(m8,a8,a23,1).
bond(m8,a9,a10,1).
bond(m8,a9,a24,1).
bond(m8,a9,a25,1).
bond(m8,a10,a26,1).
bond(m8,a10,a27,1).
bond(m8,a10,a28,1).
atm(m90,a1,c,c3,6.992,1.214,0.000,-0.147).
atm(m90,a2,c,c3,6.230,2.174,-0.893,0.079).
atm(m90,a3,o,o3,4.827,1.938,-0.879,-0.260).
atm(m90,a4,c,c2,4.062,2.454,0.128,0.420).
atm(m90,a5,o,o2,4.570,3.105,1.017,-0.362).
atm(m90,a6,c,car,2.618,2.096,-0.011,-0.064).
atm(m90,a7,c,car,2.078,1.221,0.934,-0.069).
atm(m90,a8,c,car,0.739,0.857,0.864,-0.087).
atm(m90,a9,c,car,-0.069,1.363,-0.149,-0.088).
atm(m90,a10,c,car,0.461,2.236,-1.092,-0.068).
atm(m90,a11,c,car,1.806,2.608,-1.026,-0.065).
atm(m90,a12,c,c2,2.315,3.540,-2.077,0.421).
atm(m90,a13,o,o2,2.410,3.319,-3.267,-0.366).
atm(m90,a14,o,o3,2.659,4.760,-1.577,-0.260).
atm(m90,a15,c,c3,3.162,5.747,-2.481,0.078).
atm(m90,a16,c,c3,3.475,6.972,-1.643,-0.126).
atm(m90,a17,h,h,8.072,1.329,-0.159,0.049).
atm(m90,a18,h,h,6.793,1.396,1.064,0.056).
atm(m90,a19,h,h,6.737,0.166,-0.207,0.049).
atm(m90,a20,h,h,6.466,3.228,-0.654,0.055).
atm(m90,a21,h,h,6.450,2.004,-1.963,0.057).
atm(m90,a22,h,h,2.712,0.825,1.736,0.116).
atm(m90,a23,h,h,0.321,0.170,1.608,0.110).
atm(m90,a24,h,h,-1.124,1.074,-0.206,0.110).
atm(m90,a25,h,h,-0.175,2.629,-1.893,0.117).
atm(m90,a26,h,h,4.064,5.361,-2.992,0.047).
atm(m90,a27,h,h,2.401,5.964,-3.254,0.046).
atm(m90,a28,h,h,3.872,7.771,-2.283,0.047).
atm(m90,a29,h,h,2.584,7.365,-1.136,0.050).
atm(m90,a30,h,h,4.225,6.762,-0.869,0.054).
bond(m90,a1,a2,1).
bond(m90,a1,a17,1).
bond(m90,a1,a18,1).
bond(m90,a1,a19,1).
bond(m90,a2,a3,1).
bond(m90,a2,a20,1).
bond(m90,a2,a21,1).
bond(m90,a3,a4,1).
bond(m90,a4,a5,2).
bond(m90,a4,a6,1).
bond(m90,a6,a7,ar).
bond(m90,a6,a11,ar).
bond(m90,a7,a8,ar).
bond(m90,a7,a22,1).
bond(m90,a8,a9,ar).
bond(m90,a8,a23,1).
bond(m90,a9,a10,ar).
bond(m90,a9,a24,1).
bond(m90,a10,a11,ar).
bond(m90,a10,a25,1).
bond(m90,a11,a12,1).
bond(m90,a12,a13,2).
bond(m90,a12,a14,1).
bond(m90,a14,a15,1).
bond(m90,a15,a16,1).
bond(m90,a15,a26,1).
bond(m90,a15,a27,1).
bond(m90,a16,a28,1).
bond(m90,a16,a29,1).
bond(m90,a16,a30,1).
atm(m91,a1,c,car,9.110,1.212,0.000,-0.089).
atm(m91,a2,c,car,8.423,0.018,-0.194,-0.086).
atm(m91,a3,c,car,7.033,0.006,-0.195,-0.070).
atm(m91,a4,c,car,6.323,1.191,0.000,-0.064).
atm(m91,a5,c,c2,4.830,1.142,-0.034,0.420).
atm(m91,a6,o,o2,4.104,1.580,-0.903,-0.365).
atm(m91,a7,o,o3,4.305,0.514,1.059,-0.254).
atm(m91,a8,c,c3,2.895,0.471,1.234,0.074).
atm(m91,a9,c,c3,2.240,-0.661,0.449,-0.141).
atm(m91,a10,c,c3,0.777,-0.797,0.841,-0.091).
atm(m91,a11,c,c3,0.102,-1.909,0.071,-0.110).
atm(m91,a12,c,car,8.408,2.396,0.192,-0.065).
atm(m91,a13,c,car,7.012,2.392,0.195,-0.069).
atm(m91,a14,c,c2,6.312,3.698,0.388,0.420).
atm(m91,a15,o,o2,6.399,4.680,-0.319,-0.358).
atm(m91,a16,o,o3,5.554,3.726,1.526,-0.263).
atm(m91,a17,c,c3,4.746,4.860,1.810,0.075).
atm(m91,a18,c,c3,3.411,4.814,1.071,-0.144).
atm(m91,a19,c,c3,2.490,5.913,1.573,-0.090).
atm(m91,a20,c,c3,1.162,5.890,0.850,-0.110).
atm(m91,a21,h,h,10.205,1.221,-0.001,0.110).
atm(m91,a22,h,h,8.976,-0.915,-0.347,0.109).
atm(m91,a23,h,h,6.493,-0.936,-0.347,0.115).
atm(m91,a24,h,h,2.832,0.304,2.325,0.057).
atm(m91,a25,h,h,2.430,1.451,1.007,0.057).
atm(m91,a26,h,h,2.325,-0.473,-0.640,0.072).
atm(m91,a27,h,h,2.772,-1.616,0.631,0.060).
atm(m91,a28,h,h,0.694,-0.985,1.930,0.047).
atm(m91,a29,h,h,0.250,0.161,0.662,0.051).
atm(m91,a30,h,h,0.582,-2.880,0.256,0.038).
atm(m91,a31,h,h,-0.953,-2.006,0.354,0.039).
atm(m91,a32,h,h,0.137,-1.731,-1.012,0.041).
atm(m91,a33,h,h,8.951,3.338,0.335,0.118).
atm(m91,a34,h,h,4.617,4.748,2.902,0.055).
atm(m91,a35,h,h,5.284,5.809,1.621,0.059).
atm(m91,a36,h,h,3.573,4.921,-0.021,0.076).
atm(m91,a37,h,h,2.929,3.822,1.203,0.061).
atm(m91,a38,h,h,2.329,5.803,2.664,0.045).
atm(m91,a39,h,h,2.976,6.900,1.441,0.051).
atm(m91,a40,h,h,0.641,4.934,0.991,0.038).
atm(m91,a41,h,h,0.498,6.684,1.213,0.038).
atm(m91,a42,h,h,1.288,6.035,-0.232,0.043).
bond(m91,a1,a2,ar).
bond(m91,a1,a12,ar).
bond(m91,a1,a21,1).
bond(m91,a2,a3,ar).
bond(m91,a2,a22,1).
bond(m91,a3,a4,ar).
bond(m91,a3,a23,1).
bond(m91,a4,a5,1).
bond(m91,a4,a13,ar).
bond(m91,a5,a6,2).
bond(m91,a5,a7,1).
bond(m91,a7,a8,1).
bond(m91,a8,a9,1).
bond(m91,a8,a24,1).
bond(m91,a8,a25,1).
bond(m91,a9,a10,1).
bond(m91,a9,a26,1).
bond(m91,a9,a27,1).
bond(m91,a10,a11,1).
bond(m91,a10,a28,1).
bond(m91,a10,a29,1).
bond(m91,a11,a30,1).
bond(m91,a11,a31,1).
bond(m91,a11,a32,1).
bond(m91,a12,a13,ar).
bond(m91,a12,a33,1).
bond(m91,a13,a14,1).
bond(m91,a14,a15,2).
bond(m91,a14,a16,1).
bond(m91,a16,a17,1).
bond(m91,a17,a18,1).
bond(m91,a17,a34,1).
bond(m91,a17,a35,1).
bond(m91,a18,a19,1).
bond(m91,a18,a36,1).
bond(m91,a18,a37,1).
bond(m91,a19,a20,1).
bond(m91,a19,a38,1).
bond(m91,a19,a39,1).
bond(m91,a20,a40,1).
bond(m91,a20,a41,1).
bond(m91,a20,a42,1).
atm(m92,a1,c,c3,0.000,3.639,0.000,-0.171).
atm(m92,a2,c,c3,0.700,2.428,0.000,-0.089).
atm(m92,a3,c,car,2.100,2.428,0.000,0.008).
atm(m92,a4,c,car,2.800,3.639,0.000,-0.202).
atm(m92,a5,br,br,2.100,4.856,0.000,0.186).
atm(m92,a6,c,car,4.206,3.639,0.000,-0.191).
atm(m92,a7,br,br,4.906,4.856,0.000,0.186).
atm(m92,a8,c,car,4.906,2.428,0.000,-0.206).
atm(m92,a9,br,br,6.306,2.428,0.000,0.181).
atm(m92,a10,c,car,4.206,1.211,0.000,-0.185).
atm(m92,a11,br,br,4.906,0.000,0.000,0.187).
atm(m92,a12,c,car,2.800,1.211,0.000,-0.204).
atm(m92,a13,br,br,2.100,0.000,0.000,0.160).
atm(m92,a14,h,h,0.708,4.468,0.000,0.053).
atm(m92,a15,h,h,-0.627,3.696,-0.890,0.058).
atm(m92,a16,h,h,-0.627,3.696,0.890,0.058).
atm(m92,a17,h,h,0.386,1.883,0.890,0.087).
atm(m92,a18,h,h,0.386,1.883,-0.890,0.087).
bond(m92,a1,a2,1).
bond(m92,a1,a14,1).
bond(m92,a1,a15,1).
bond(m92,a1,a16,1).
bond(m92,a2,a3,1).
bond(m92,a2,a17,1).
bond(m92,a2,a18,1).
bond(m92,a3,a4,ar).
bond(m92,a3,a12,ar).
bond(m92,a4,a5,1).
bond(m92,a4,a6,ar).
bond(m92,a6,a7,1).
bond(m92,a6,a8,ar).
bond(m92,a8,a9,1).
bond(m92,a8,a10,ar).
bond(m92,a10,a11,1).
bond(m92,a10,a12,ar).
bond(m92,a12,a13,1).
atm(m93,a1,c,c3,13.424,-3.994,-0.696,0.102).
atm(m93,a2,o,o3,12.297,-3.562,-0.009,-0.563).
atm(m93,a3,p,p3,11.732,-4.380,1.391,1.567).
atm(m93,a4,o,o3,10.990,-5.717,0.608,-0.557).
atm(m93,a5,c,c3,11.742,-6.813,0.207,0.097).
atm(m93,a6,s,s2,12.930,-4.699,2.864,-0.630).
atm(m93,a7,s,s3,10.069,-3.177,1.965,-0.288).
atm(m93,a8,c,c3,8.981,-2.501,0.637,-0.066).
atm(m93,a9,n,nam,7.746,-3.257,0.352,-0.047).
atm(m93,a10,n,n2,6.719,-3.113,1.294,0.014).
atm(m93,a11,n,n2,5.651,-3.714,1.197,-0.014).
atm(m93,a12,c,car,5.364,-4.622,0.123,-0.066).
atm(m93,a13,c,car,4.134,-5.285,0.099,-0.057).
atm(m93,a14,c,car,3.864,-6.160,-0.945,-0.072).
atm(m93,a15,c,car,4.803,-6.375,-1.954,-0.100).
atm(m93,a16,c,car,6.026,-5.716,-1.934,-0.030).
atm(m93,a17,c,car,6.313,-4.833,-0.892,-0.155).
atm(m93,a18,c,c2,7.594,-4.100,-0.816,0.310).
atm(m93,a19,o,o2,8.491,-4.130,-1.639,-0.337).
atm(m93,a20,h,h,14.334,-3.840,-0.105,0.027).
atm(m93,a21,h,h,13.338,-5.053,-0.988,0.018).
atm(m93,a22,h,h,13.457,-3.367,-1.593,0.048).
atm(m93,a23,h,h,12.471,-6.526,-0.568,0.018).
atm(m93,a24,h,h,12.260,-7.283,1.052,0.029).
atm(m93,a25,h,h,11.011,-7.510,-0.214,0.048).
atm(m93,a26,h,h,8.714,-1.494,1.023,0.114).
atm(m93,a27,h,h,9.543,-2.357,-0.306,0.111).
atm(m93,a28,h,h,3.395,-5.116,0.893,0.129).
atm(m93,a29,h,h,2.903,-6.687,-0.977,0.111).
atm(m93,a30,h,h,4.574,-7.069,-2.770,0.112).
atm(m93,a31,h,h,6.765,-5.884,-2.727,0.127).
bond(m93,a1,a2,1).
bond(m93,a1,a20,1).
bond(m93,a1,a21,1).
bond(m93,a1,a22,1).
bond(m93,a2,a3,1).
bond(m93,a3,a4,1).
bond(m93,a3,a6,2).
bond(m93,a3,a7,1).
bond(m93,a4,a5,1).
bond(m93,a5,a23,1).
bond(m93,a5,a24,1).
bond(m93,a5,a25,1).
bond(m93,a7,a8,1).
bond(m93,a8,a9,1).
bond(m93,a8,a26,1).
bond(m93,a8,a27,1).
bond(m93,a9,a10,1).
bond(m93,a9,a18,1).
bond(m93,a10,a11,2).
bond(m93,a11,a12,1).
bond(m93,a12,a13,ar).
bond(m93,a12,a17,ar).
bond(m93,a13,a14,ar).
bond(m93,a13,a28,1).
bond(m93,a14,a15,ar).
bond(m93,a14,a29,1).
bond(m93,a15,a16,ar).
bond(m93,a15,a30,1).
bond(m93,a16,a17,ar).
bond(m93,a16,a31,1).
bond(m93,a17,a18,1).
bond(m93,a18,a19,2).
atm(m94,a1,c,car,6.991,4.845,0.000,-0.142).
atm(m94,a2,c,car,8.380,4.845,-0.007,-0.082).
atm(m94,a3,c,car,9.085,3.645,-0.022,-0.119).
atm(m94,a4,c,car,8.397,2.436,-0.029,-0.074).
atm(m94,a5,c,car,7.009,2.417,-0.024,-0.136).
atm(m94,a6,c,car,6.302,3.625,-0.011,-0.075).
atm(m94,a7,n,nam,4.864,3.649,-0.059,0.090).
atm(m94,a8,c,c2,4.035,2.535,0.187,0.308).
atm(m94,a9,o,o2,4.514,1.394,0.129,-0.420).
atm(m94,a10,c,car,2.590,2.759,0.437,-0.268).
atm(m94,a11,c,car,1.719,1.653,0.540,0.206).
atm(m94,a12,o,o3,2.116,0.365,0.432,-0.256).
atm(m94,a13,c,car,0.341,1.850,0.770,-0.172).
atm(m94,a14,c,car,-0.152,3.133,0.900,-0.026).
atm(m94,a15,c,car,0.704,4.235,0.807,-0.164).
atm(m94,a16,c,car,2.054,4.048,0.580,-0.026).
atm(m94,a17,h,h,6.453,5.801,0.012,0.106).
atm(m94,a18,h,h,8.922,5.796,0.000,0.102).
atm(m94,a19,h,h,10.179,3.654,-0.028,0.105).
atm(m94,a20,h,h,8.950,1.490,-0.038,0.105).
atm(m94,a21,h,h,6.429,1.472,-0.019,0.167).
atm(m94,a22,h,h,4.454,4.536,0.159,0.076).
atm(m94,a23,h,h,3.070,0.346,0.291,0.256).
atm(m94,a24,h,h,-0.327,0.984,0.844,0.128).
atm(m94,a25,h,h,-1.221,3.292,1.078,0.103).
atm(m94,a26,h,h,0.301,5.247,0.915,0.111).
atm(m94,a27,h,h,2.716,4.923,0.510,0.098).
bond(m94,a1,a2,ar).
bond(m94,a1,a6,ar).
bond(m94,a1,a17,1).
bond(m94,a2,a3,ar).
bond(m94,a2,a18,1).
bond(m94,a3,a4,ar).
bond(m94,a3,a19,1).
bond(m94,a4,a5,ar).
bond(m94,a4,a20,1).
bond(m94,a5,a6,ar).
bond(m94,a5,a21,1).
bond(m94,a6,a7,1).
bond(m94,a7,a8,1).
bond(m94,a7,a22,1).
bond(m94,a8,a9,2).
bond(m94,a8,a10,1).
bond(m94,a10,a11,ar).
bond(m94,a10,a16,ar).
bond(m94,a11,a12,1).
bond(m94,a11,a13,ar).
bond(m94,a12,a23,1).
bond(m94,a13,a14,ar).
bond(m94,a13,a24,1).
bond(m94,a14,a15,ar).
bond(m94,a14,a25,1).
bond(m94,a15,a16,ar).
bond(m94,a15,a26,1).
bond(m94,a16,a27,1).
atm(m95,a1,c,c2,1.214,1.402,0.000,-0.251).
atm(m95,a2,cl,cl,1.082,-0.257,0.000,0.151).
atm(m95,a3,cl,cl,-0.276,2.190,0.000,0.126).
atm(m95,a4,c,c2,2.356,2.124,0.000,-0.137).
atm(m95,a5,cl,cl,2.166,3.808,-0.001,0.110).
atm(m95,a6,c,c2,3.709,1.601,0.000,-0.137).
atm(m95,a7,cl,cl,3.899,-0.082,0.002,0.111).
atm(m95,a8,c,c2,4.851,2.324,-0.001,-0.251).
atm(m95,a9,cl,cl,6.341,1.536,0.000,0.126).
atm(m95,a10,cl,cl,4.983,3.983,-0.003,0.151).
bond(m95,a1,a2,1).
bond(m95,a1,a3,1).
bond(m95,a1,a4,2).
bond(m95,a4,a5,1).
bond(m95,a4,a6,1).
bond(m95,a6,a7,1).
bond(m95,a6,a8,2).
bond(m95,a8,a9,1).
bond(m95,a8,a10,1).
atm(m96,a1,o,o3,0.000,2.425,0.000,-0.205).
atm(m96,a2,c,car,1.311,2.769,-0.117,0.131).
atm(m96,a3,c,car,1.663,4.054,0.332,-0.177).
atm(m96,a4,cl,cl,0.510,5.085,0.974,0.139).
atm(m96,a5,c,car,2.991,4.473,0.242,-0.105).
atm(m96,a6,cl,cl,3.418,6.000,0.775,0.132).
atm(m96,a7,c,car,3.967,3.627,-0.290,-0.171).
atm(m96,a8,cl,cl,5.557,4.143,-0.392,0.127).
atm(m96,a9,c,car,3.617,2.352,-0.736,-0.097).
atm(m96,a10,cl,cl,4.785,1.339,-1.373,0.131).
atm(m96,a11,c,car,2.293,1.919,-0.652,-0.225).
atm(m96,a12,cl,cl,1.888,0.379,-1.194,0.111).
atm(m96,a13,h,h,-0.109,1.541,-0.335,0.209).
bond(m96,a1,a2,1).
bond(m96,a1,a13,1).
bond(m96,a2,a3,ar).
bond(m96,a2,a11,ar).
bond(m96,a3,a4,1).
bond(m96,a3,a5,ar).
bond(m96,a5,a6,1).
bond(m96,a5,a7,ar).
bond(m96,a7,a8,1).
bond(m96,a7,a9,ar).
bond(m96,a9,a10,1).
bond(m96,a9,a11,ar).
bond(m96,a11,a12,1).
atm(m97,a1,o,o3,5.600,2.425,0.000,-0.207).
atm(m97,a2,c,car,4.240,2.498,0.031,0.108).
atm(m97,a3,c,car,3.537,1.333,-0.324,-0.158).
atm(m97,a4,cl,cl,4.363,-0.064,-0.760,0.112).
atm(m97,a5,c,car,2.147,1.331,-0.316,-0.071).
atm(m97,a6,c,car,1.458,2.487,0.045,-0.147).
atm(m97,a7,cl,cl,-0.227,2.478,0.052,0.080).
atm(m97,a8,c,car,2.136,3.649,0.399,-0.063).
atm(m97,a9,c,car,3.527,3.653,0.392,-0.205).
atm(m97,a10,cl,cl,4.353,5.061,0.821,0.084).
atm(m97,a11,h,h,5.949,3.271,0.259,0.207).
atm(m97,a12,h,h,1.597,0.423,-0.593,0.130).
atm(m97,a13,h,h,1.584,4.553,0.681,0.130).
bond(m97,a1,a2,1).
bond(m97,a1,a11,1).
bond(m97,a2,a3,ar).
bond(m97,a2,a9,ar).
bond(m97,a3,a4,1).
bond(m97,a3,a5,ar).
bond(m97,a5,a6,ar).
bond(m97,a5,a12,1).
bond(m97,a6,a7,1).
bond(m97,a6,a8,ar).
bond(m97,a8,a9,ar).
bond(m97,a8,a13,1).
bond(m97,a9,a10,1).
atm(m98,a1,o,o3,5.600,0.000,0.000,-0.207).
atm(m98,a2,c,car,4.917,1.171,-0.093,0.151).
atm(m98,a3,c,car,3.514,1.066,-0.070,-0.115).
atm(m98,a4,c,car,2.740,2.214,-0.164,-0.048).
atm(m98,a5,c,c3,1.206,2.053,-0.114,0.400).
atm(m98,a6,f,f,0.585,2.979,0.649,-0.131).
atm(m98,a7,f,f,0.614,2.120,-1.324,-0.118).
atm(m98,a8,f,f,0.783,0.875,0.401,-0.134).
atm(m98,a9,c,car,3.353,3.471,-0.299,-0.388).
atm(m98,a10,n,n4,2.583,4.756,-0.465,1.307).
atm(m98,a11,o,oco2,1.612,4.770,-1.190,-0.577).
atm(m98,a12,o,oco2,2.980,5.748,0.109,-0.587).
atm(m98,a13,c,car,4.750,3.559,-0.304,0.021).
atm(m98,a14,c,car,5.537,2.421,-0.203,-0.190).
atm(m98,a15,h,h,6.531,0.190,-0.018,0.209).
atm(m98,a16,h,h,3.052,0.073,0.024,0.149).
atm(m98,a17,h,h,5.244,4.538,-0.384,0.131).
atm(m98,a18,h,h,6.630,2.513,-0.210,0.126).
bond(m98,a1,a2,1).
bond(m98,a1,a15,1).
bond(m98,a2,a3,ar).
bond(m98,a2,a14,ar).
bond(m98,a3,a4,ar).
bond(m98,a3,a16,1).
bond(m98,a4,a5,1).
bond(m98,a4,a9,ar).
bond(m98,a5,a6,1).
bond(m98,a5,a7,1).
bond(m98,a5,a8,1).
bond(m98,a9,a10,1).
bond(m98,a9,a13,ar).
bond(m98,a10,a11,2).
bond(m98,a10,a12,1).
bond(m98,a13,a14,ar).
bond(m98,a13,a17,1).
bond(m98,a14,a18,1).
atm(m99,a1,c,car,2.795,2.423,0.000,-0.032).
atm(m99,a2,n,npl3,2.086,3.660,-0.054,0.062).
atm(m99,a3,c,car,4.175,2.430,0.265,-0.158).
atm(m99,a4,c,car,4.861,1.235,0.422,-0.052).
atm(m99,a5,c,car,4.192,0.019,0.314,-0.145).
atm(m99,a6,c,car,2.829,0.000,0.053,-0.034).
atm(m99,a7,c,car,2.122,1.194,-0.100,-0.180).
atm(m99,a8,c,c2,0.664,1.124,-0.405,0.280).
atm(m99,a9,o,o2,0.157,1.437,-1.474,-0.374).
atm(m99,a10,n,nam,-0.175,0.572,0.595,0.000).
atm(m99,a11,h,h,2.685,4.415,-0.307,0.037).
atm(m99,a12,h,h,1.293,3.614,-0.654,0.049).
atm(m99,a13,h,h,4.720,3.379,0.348,0.113).
atm(m99,a14,h,h,5.937,1.249,0.628,0.102).
atm(m99,a15,h,h,4.740,-0.921,0.431,0.109).
atm(m99,a16,h,h,2.304,-0.958,-0.040,0.110).
atm(m99,a17,h,h,0.156,0.695,1.524,0.052).
atm(m99,a18,h,h,-1.147,0.760,0.494,0.059).
bond(m99,a1,a2,1).
bond(m99,a1,a3,ar).
bond(m99,a1,a7,ar).
bond(m99,a2,a11,1).
bond(m99,a2,a12,1).
bond(m99,a3,a4,ar).
bond(m99,a3,a13,1).
bond(m99,a4,a5,ar).
bond(m99,a4,a14,1).
bond(m99,a5,a6,ar).
bond(m99,a5,a15,1).
bond(m99,a6,a7,ar).
bond(m99,a6,a16,1).
bond(m99,a7,a8,1).
bond(m99,a8,a9,2).
bond(m99,a8,a10,1).
bond(m99,a10,a17,1).
bond(m99,a10,a18,1).
atm(m9,a1,c,c3,23.729,7.261,0.000,-0.109).
atm(m9,a2,c,c3,22.986,5.948,-0.104,-0.098).
atm(m9,a3,c,c3,21.481,6.156,-0.083,-0.103).
atm(m9,a4,c,c3,20.737,4.835,-0.188,-0.102).
atm(m9,a5,c,c3,19.232,5.045,-0.167,-0.101).
atm(m9,a6,c,c3,18.488,3.723,-0.273,-0.098).
atm(m9,a7,c,c3,16.983,3.936,-0.251,-0.117).
atm(m9,a8,c,c3,16.263,2.595,-0.358,0.075).
atm(m9,a9,o,o3,14.864,2.890,-0.330,-0.264).
atm(m9,a10,c,c2,13.984,1.852,-0.423,0.422).
atm(m9,a11,o,o2,14.402,0.714,-0.507,-0.375).
atm(m9,a12,c,car,12.559,2.284,-0.395,-0.097).
atm(m9,a13,c,car,11.637,1.518,0.320,-0.063).
atm(m9,a14,c,car,10.298,1.893,0.353,-0.063).
atm(m9,a15,c,car,9.879,3.031,-0.336,-0.097).
atm(m9,a16,c,c2,8.447,3.443,-0.333,0.419).
atm(m9,a17,o,o2,7.806,3.855,-1.280,-0.371).
atm(m9,a18,o,o3,7.863,3.342,0.899,-0.263).
atm(m9,a19,c,c3,6.490,3.674,1.059,0.076).
atm(m9,a20,c,c3,5.566,2.525,0.665,-0.139).
atm(m9,a21,c,c3,4.132,2.848,1.049,-0.095).
atm(m9,a22,c,c3,3.191,1.719,0.662,-0.102).
atm(m9,a23,c,c3,1.755,2.040,1.046,-0.101).
atm(m9,a24,c,c3,0.814,0.911,0.660,-0.103).
atm(m9,a25,c,c3,-0.622,1.230,1.044,-0.098).
atm(m9,a26,c,c3,-1.559,0.107,0.660,-0.109).
atm(m9,a27,c,car,10.799,3.791,-1.061,-0.064).
atm(m9,a28,c,car,12.138,3.420,-1.088,-0.062).
atm(m9,a29,h,h,24.815,7.107,-0.014,0.037).
atm(m9,a30,h,h,23.481,7.933,-0.833,0.038).
atm(m9,a31,h,h,23.485,7.792,0.930,0.038).
atm(m9,a32,h,h,23.281,5.419,-1.032,0.049).
atm(m9,a33,h,h,23.285,5.278,0.727,0.049).
atm(m9,a34,h,h,21.185,6.685,0.845,0.051).
atm(m9,a35,h,h,21.181,6.827,-0.914,0.051).
atm(m9,a36,h,h,21.032,4.307,-1.117,0.051).
atm(m9,a37,h,h,21.037,4.164,0.642,0.051).
atm(m9,a38,h,h,18.936,5.573,0.762,0.052).
atm(m9,a39,h,h,18.931,5.715,-0.998,0.052).
atm(m9,a40,h,h,18.784,3.196,-1.202,0.053).
atm(m9,a41,h,h,18.789,3.053,0.558,0.053).
atm(m9,a42,h,h,16.686,4.463,0.678,0.062).
atm(m9,a43,h,h,16.681,4.606,-1.081,0.061).
atm(m9,a44,h,h,16.518,2.070,-1.298,0.050).
atm(m9,a45,h,h,16.521,1.926,0.485,0.051).
atm(m9,a46,h,h,11.967,0.617,0.852,0.123).
atm(m9,a47,h,h,9.577,1.292,0.920,0.120).
atm(m9,a48,h,h,6.456,3.874,2.145,0.056).
atm(m9,a49,h,h,6.228,4.607,0.526,0.059).
atm(m9,a50,h,h,5.634,2.334,-0.425,0.070).
atm(m9,a51,h,h,5.888,1.584,1.154,0.060).
atm(m9,a52,h,h,4.065,3.040,2.139,0.050).
atm(m9,a53,h,h,3.812,3.791,0.561,0.054).
atm(m9,a54,h,h,3.257,1.528,-0.428,0.054).
atm(m9,a55,h,h,3.511,0.775,1.148,0.051).
atm(m9,a56,h,h,1.689,2.231,2.137,0.050).
atm(m9,a57,h,h,1.435,2.983,0.560,0.052).
atm(m9,a58,h,h,0.880,0.719,-0.430,0.052).
atm(m9,a59,h,h,1.134,-0.033,1.146,0.051).
atm(m9,a60,h,h,-0.687,1.421,2.133,0.048).
atm(m9,a61,h,h,-0.941,2.173,0.557,0.049).
atm(m9,a62,h,h,-1.290,-0.834,1.158,0.038).
atm(m9,a63,h,h,-2.595,0.340,0.938,0.037).
atm(m9,a64,h,h,-1.545,-0.081,-0.422,0.038).
atm(m9,a65,h,h,10.464,4.677,-1.614,0.122).
atm(m9,a66,h,h,12.859,4.022,-1.654,0.120).
bond(m9,a1,a2,1).
bond(m9,a1,a29,1).
bond(m9,a1,a30,1).
bond(m9,a1,a31,1).
bond(m9,a2,a3,1).
bond(m9,a2,a32,1).
bond(m9,a2,a33,1).
bond(m9,a3,a4,1).
bond(m9,a3,a34,1).
bond(m9,a3,a35,1).
bond(m9,a4,a5,1).
bond(m9,a4,a36,1).
bond(m9,a4,a37,1).
bond(m9,a5,a6,1).
bond(m9,a5,a38,1).
bond(m9,a5,a39,1).
bond(m9,a6,a7,1).
bond(m9,a6,a40,1).
bond(m9,a6,a41,1).
bond(m9,a7,a8,1).
bond(m9,a7,a42,1).
bond(m9,a7,a43,1).
bond(m9,a8,a9,1).
bond(m9,a8,a44,1).
bond(m9,a8,a45,1).
bond(m9,a9,a10,1).
bond(m9,a10,a11,2).
bond(m9,a10,a12,1).
bond(m9,a12,a13,ar).
bond(m9,a12,a28,ar).
bond(m9,a13,a14,ar).
bond(m9,a13,a46,1).
bond(m9,a14,a15,ar).
bond(m9,a14,a47,1).
bond(m9,a15,a16,1).
bond(m9,a15,a27,ar).
bond(m9,a16,a17,2).
bond(m9,a16,a18,1).
bond(m9,a18,a19,1).
bond(m9,a19,a20,1).
bond(m9,a19,a48,1).
bond(m9,a19,a49,1).
bond(m9,a20,a21,1).
bond(m9,a20,a50,1).
bond(m9,a20,a51,1).
bond(m9,a21,a22,1).
bond(m9,a21,a52,1).
bond(m9,a21,a53,1).
bond(m9,a22,a23,1).
bond(m9,a22,a54,1).
bond(m9,a22,a55,1).
bond(m9,a23,a24,1).
bond(m9,a23,a56,1).
bond(m9,a23,a57,1).
bond(m9,a24,a25,1).
bond(m9,a24,a58,1).
bond(m9,a24,a59,1).
bond(m9,a25,a26,1).
bond(m9,a25,a60,1).
bond(m9,a25,a61,1).
bond(m9,a26,a62,1).
bond(m9,a26,a63,1).
bond(m9,a26,a64,1).
bond(m9,a27,a28,ar).
bond(m9,a27,a65,1).
bond(m9,a28,a66,1).
